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

• ChemBase ID: 25268
• Molecular Formular: C13H18FN
• Molecular Mass: 207.2871232
• Monoisotopic Mass: 207.1423278
• SMILES: N1CCC(CCc2c(F)cccc2)CC1
• Canonical SMILES: Fc1ccccc1CCC1CCNCC1
• InChI: InChI=1S/C13H18FN/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,11,15H,5-10H2
• InChIKey: JIRKOHSBZDIZRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 614731-85-0
• MDL Number: MFCD05022472
• PubChem SID: 160988575
• PubChem CID: 4341896

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: 23.590708 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