4-[(2-fluorophenyl)methyl]piperidine hydrochloride

• ChemBase ID: 235037
• Molecular Formular: C12H17ClFN
• Molecular Mass: 229.7214832
• Monoisotopic Mass: 229.10335545
• SMILES: c1(CC2CCNCC2)c(F)cccc1.Cl
• Canonical SMILES: Fc1ccccc1CC1CCNCC1.Cl
• InChI: InChI=1S/C12H16FN.ClH/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
• InChIKey: PXFXMIWBLWWLLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09787475
• PubChem SID: 164290947
• PubChem CID: 46172843

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

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): 3.015

Product Information

• Purity: 95%