1-benzylpiperidin-4-amine dihydrochloride

• ChemBase ID: 180194
• Molecular Formular: C12H20Cl2N2
• Molecular Mass: 263.2066
• Monoisotopic Mass: 262.10035401
• SMILES: N1(Cc2ccccc2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C12H18N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12H,6-10,13H2;2*1H
• InChIKey: RDEUNWFXSVDHCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-benzylpiperidin-4-amine dihydrochloride
• Synonyms: 1-Benzyl-4-Aminopiperidine Dihydrochloride

Database IDs

• CAS Number: 50541-93-1
• PubChem SID: 164236104
• PubChem CID: 12594483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.46667
• LogD (pH = 7.4): -2.3850498
• Log P: 1.1258204
• Molar Refractivity: 59.9825 cm^3
• Polarizability: 23.75333 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true