1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one

C15H20FNO3

CAS116256-11-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
116256-11-2
EC Number
411-500-7
UN Number
3077
Index Number
613-188-00-X
PubChem CID
11065870

Physical-chemical properties

Molecular Formula
C15H20FNO3
Molar Mass
281.32 g/mol
IUPAC Name
1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one

Chemical Identifiers

InChI
InChI=1S/C15H20FNO3/c1-19-15-11-17(9-7-14(15)18)8-2-10-20-13-5-3-12(16)4-6-13/h3-6,15H,2,7-11H2,1H3
InChI Key
HEVIJEFDFFKZPG-UHFFFAOYSA-N

Overview

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one (CAS 116256-11-2) is a fluorinated piperidine derivative with methoxy and phenoxy functional groups exhibiting acute toxicity and sensitization properties. This specialized organic compound represents a complex heterocyclic structure combining a piperidine ring system with fluorophenoxy and methoxy substituents. With the molecular formula C15H20FNO3 and a molecular weight of 281.32 g/mol, this substance demonstrates the sophisticated chemistry typical of modern pharmaceutical intermediates and specialty chemicals. The presence of the fluorine atom in the phenoxy group significantly influences the compound's physicochemical properties, including its lipophilicity, metabolic stability, and biological activity profile. The safety profile of 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one requires careful handling protocols due to its classification under multiple hazard categories. The compound exhibits acute toxicity (Category 4), causes serious eye damage (Category 1), and acts as a skin sensitizer (Category 1). Additionally, it presents chronic aquatic toxicity concerns (Category 2), necessitating appropriate environmental protection measures during use and disposal. The assigned danger signal word and GHS pictograms (GHS07, GHS05, GHS09) reflect these significant safety considerations, while its ADR Class 9 classification indicates specific transportation requirements. This piperidine derivative finds primary applications in pharmaceutical research and development, particularly as a synthetic intermediate in drug discovery programs. The compound's structural complexity makes it valuable for medicinal chemistry applications, especially in developing neurologically active compounds. Unlike simpler structures such as 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide, this molecule offers unique pharmacophore characteristics suited for specialized therapeutic research. OYSI maintains reliable supply chains for this technical grade compound, supporting European pharmaceutical and chemical research industries with consistent quality and regulatory compliance.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Eye Dam. 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

H411

Toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name1-(3-(4-Fluorphenoxy)propyl)-3-methoxy-4-piperidinon
Marine PollutantNo

Frequently Asked Questions

What is 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is an organic chemical compound with the molecular formula C15H20FNO3 and CAS number 116256-11-2. This fluorinated piperidine derivative has a molecular weight of 281.32 g/mol and contains both fluorophenoxy and methoxy functional groups. It is classified as a hazardous substance requiring careful handling due to its acute toxicity, eye damage potential, and skin sensitization properties.

What are the physicochemical properties of 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is a complex organic molecule with a molecular weight of 281.32 g/mol and the formula C15H20FNO3. The compound contains fluorine, nitrogen, and oxygen heteroatoms within its structure, featuring both aromatic and aliphatic components. Specific physical properties such as melting point, boiling point, and solubility data should be obtained from detailed safety data sheets or analytical certificates.

What is 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one used for?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is primarily used as a research chemical and pharmaceutical intermediate in specialized chemical synthesis applications. Its specific fluorinated piperidine structure makes it valuable for medicinal chemistry research and drug development processes. The compound may serve as a building block for more complex pharmaceutical compounds or as a reference standard in analytical laboratories conducting research on similar molecular structures.

How to handle 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one safely?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one must be handled with appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing due to its Eye Dam. 1 and Skin Sens. 1 classifications. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation. Avoid direct skin and eye contact, and ensure emergency eyewash stations are readily accessible when working with this substance.

How to store 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one properly?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one should be stored in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly closed and properly labeled according to GHS requirements with appropriate pictograms (GHS05, GHS07, GHS09). Store in original containers or approved chemical storage vessels, away from oxidizing agents and strong bases. Ensure storage area has appropriate spill containment measures and restricted access.

What to do in case of contact with 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one?

In case of eye contact with 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one, immediately flush with plenty of water for at least 15 minutes and seek medical attention due to its Eye Dam. 1 classification. For skin contact, wash thoroughly with soap and water, and remove contaminated clothing. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete emergency procedures.

How to dispose of 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one properly?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one must be disposed of through licensed hazardous waste disposal facilities in accordance with local, national, and EU waste regulations. Due to its hazardous classification and potential environmental impact (Aquatic Chronic 2), it cannot be disposed of through regular waste streams. Contact authorized waste management companies for proper collection, treatment, and disposal. Maintain proper documentation of waste disposal for regulatory compliance.

How to transport 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods transport regulations. Shipments must include proper shipping names, UN numbers, and hazard labels. Only trained personnel should handle transportation arrangements, and carriers must be qualified to transport hazardous materials under ADR regulations.

Is 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one subject to special regulations?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is subject to standard EU chemical regulations including REACH registration requirements and CLP classification and labeling obligations. The substance is not currently listed as a Substance of Very High Concern (SVHC). Suppliers must provide safety data sheets and ensure proper GHS classification with Danger signal word and appropriate pictograms (GHS05, GHS07, GHS09). Users must comply with occupational health and safety regulations for hazardous chemical handling.

Where to buy 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one in Europe?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is available through OYSI, a specialized European distributor of technical chemicals and research compounds. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance for European markets. As a professional chemical distributor, OYSI ensures quality standards and proper handling procedures for hazardous substances. Contact OYSI directly for availability, specifications, and ordering information for this specialized chemical compound.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.