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

• ChemBase ID: 124791
• Molecular Formular: C12H18Cl2N2
• Molecular Mass: 261.19072
• Monoisotopic Mass: 260.08470395
• SMILES: N1(Cc2c(Cl)cccc2)CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)Cc1ccccc1Cl.Cl
• InChI: InChI=1S/C12H17ClN2.ClH/c13-12-4-2-1-3-10(12)9-15-7-5-11(14)6-8-15;/h1-4,11H,5-9,14H2;1H
• InChIKey: MGVSFTOYFLENSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162219144
• PubChem CID: 17221617

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
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl