1-[(2-chlorophenyl)methyl]piperidin-4-amine

• ChemBase ID: 307765
• Molecular Formular: C12H17ClN2
• Molecular Mass: 224.72978
• Monoisotopic Mass: 224.10802623
• SMILES: N1(Cc2c(Cl)cccc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1ccccc1Cl
• InChI: InChI=1S/C12H17ClN2/c13-12-4-2-1-3-10(12)9-15-7-5-11(14)6-8-15/h1-4,11H,5-9,14H2
• InChIKey: DAGOWXSFYONSNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-chlorophenyl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-[(2-chlorophenyl)methyl]piperidin-4-amine
• Synonyms: 1-(2-chlorobenzyl)piperidin-4-amine

Database IDs

• CAS Number: 92539-15-6
• MDL Number: MFCD08691665

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.764404
• LogD (pH = 7.4): -1.1104935
• Log P: 1.7298651
• Molar Refractivity: 64.7873 cm^3
• Polarizability: 25.567774 Å^3
• Polar Surface Area: 29.26 Å^2