4-[(2-fluorophenyl)methyl]piperidine

• ChemBase ID: 272833
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: c1(CC2CCNCC2)c(F)cccc1
• Canonical SMILES: Fc1ccccc1CC1CCNCC1
• InChI: InChI=1S/C12H16FN/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
• InChIKey: HPTZGYXMDTTYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 194288-97-6
• MDL Number: MFCD09756527
• PubChem SID: 164328743
• PubChem CID: 10775780

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5659849
• LogD (pH = 7.4): -0.109074354
• Log P: 2.6655812
• Molar Refractivity: 56.2964 cm^3
• Polarizability: 21.74749 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.015

Product Information

• Purity: 95%