1-benzyl-4-(chloromethyl)piperidine

• ChemBase ID: 309313
• Molecular Formular: C13H18ClN
• Molecular Mass: 223.74172
• Monoisotopic Mass: 223.11277726
• SMILES: N1(Cc2ccccc2)CCC(CC1)CCl
• Canonical SMILES: ClCC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C13H18ClN/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
• InChIKey: JQRPAXCUPFDKRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-(chloromethyl)piperidine
• IUPAC Traditional name: 1-benzyl-4-(chloromethyl)piperidine
• Synonyms: 1-benzyl-4-(chloromethyl)piperidine

Database IDs

• CAS Number: 136704-10-4
• MDL Number: MFCD15143192

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.014180982
• LogD (pH = 7.4): 1.6743636
• Log P: 3.0478947
• Molar Refractivity: 66.194 cm^3
• Polarizability: 25.837227 Å^3
• Polar Surface Area: 3.24 Å^2