1-benzylpiperidin-3-amine dihydrochloride

• ChemBase ID: 15826
• Molecular Formular: C12H20Cl2N2
• Molecular Mass: 263.2066
• Monoisotopic Mass: 262.10035401
• SMILES: C1C(CN(CC1)Cc1ccccc1)N.Cl.Cl
• Canonical SMILES: NC1CCCN(C1)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C12H18N2.2ClH/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;;/h1-3,5-6,12H,4,7-10,13H2;2*1H
• InChIKey: ZMXHMHRIRGUODO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylpiperidin-3-amine dihydrochloride
• IUPAC Traditional name: 1-benzylpiperidin-3-amine dihydrochloride
• Synonyms: 1-Benzylpiperidin-3-amine dihydrochloride

Database IDs

• CAS Number: 60407-35-4
• MDL Number: MFCD06799951
• PubChem SID: 160979133
• PubChem CID: 12275357

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9673986
• LogD (pH = 7.4): -0.83185756
• Log P: 1.5832233
• Molar Refractivity: 59.7617 cm^3
• Polarizability: 23.75333 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false