4-[2-(3-fluorophenyl)ethyl]piperidine

• ChemBase ID: 34521
• Molecular Formular: C13H18FN
• Molecular Mass: 207.2871232
• Monoisotopic Mass: 207.1423278
• SMILES: N1CCC(CC1)CCc1cccc(c1)F
• Canonical SMILES: Fc1cccc(c1)CCC1CCNCC1
• InChI: InChI=1S/C13H18FN/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-3,10-11,15H,4-9H2
• InChIKey: APQQFQNRCOIZOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3-fluorophenyl)ethyl]piperidine
• IUPAC Traditional name: 4-[2-(3-fluorophenyl)ethyl]piperidine
• Synonyms: 4-[2-(3-Fluorophenyl)ethyl]piperidine

Database IDs

• CAS Number: 148492-14-2
• MDL Number: MFCD05022473
• PubChem SID: 160997828
• PubChem CID: 4341897

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.12143816
• LogD (pH = 7.4): 0.33488747
• Log P: 3.11015
• Molar Refractivity: 60.8974 cm^3
• Polarizability: 23.589312 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false