N-benzylpiperidin-4-amine dihydrochloride

• ChemBase ID: 90913
• Molecular Formular: C12H20Cl2N2
• Molecular Mass: 263.2066
• Monoisotopic Mass: 262.10035401
• SMILES: N1CCC(NCc2ccccc2)CC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)NCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C12H18N2.2ClH/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;;/h1-5,12-14H,6-10H2;2*1H
• InChIKey: LGKHZJDIZSRNCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-benzylpiperidin-4-amine dihydrochloride
• Synonyms: N-(Piperidin-4-yl)benzylamine dihydrochloride; N-Benzylpiperidin-4-amine dihydrochloride; 4-(Benzylamino)piperidine dihydrochloride

Database IDs

• PubChem SID: 162104854
• PubChem CID: 53256979

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.444938
• LogD (pH = 7.4): -2.3057964
• Log P: 1.1753528
• Molar Refractivity: 59.4624 cm^3
• Polarizability: 23.753363 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful