2-[(4-fluorophenyl)methyl]piperidine

• ChemBase ID: 270289
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: N1C(Cc2ccc(F)cc2)CCCC1
• Canonical SMILES: Fc1ccc(cc1)CC1CCCCN1
• InChI: InChI=1S/C12H16FN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h4-7,12,14H,1-3,8-9H2
• InChIKey: KUKWYHPWSGHNAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-fluorophenyl)methyl]piperidine
• IUPAC Traditional name: 2-[(4-fluorophenyl)methyl]piperidine
• Synonyms: 2-[(4-fluorophenyl)methyl]piperidine; 2-(4-FLUORO-BENZYL)-PIPERIDINE

Database IDs

• CAS Number: 67157-30-6
• MDL Number: MFCD02663624
• PubChem SID: 164326199
• PubChem CID: 4641663

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.35121295
• LogD (pH = 7.4): 0.26467815
• Log P: 2.873091
• Molar Refractivity: 56.0896 cm^3
• Polarizability: 21.744883 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.165

Product Information

• Purity: 95%; 98%