benzyl[(1-benzylpiperidin-4-yl)methyl]amine dihydrochloride

• ChemBase ID: 34222
• Molecular Formular: C20H28Cl2N2
• Molecular Mass: 367.35572
• Monoisotopic Mass: 366.16295427
• SMILES: N1(CCC(CC1)CNCc1ccccc1)Cc1ccccc1.Cl.Cl
• Canonical SMILES: c1ccc(cc1)CNCC1CCN(CC1)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C20H26N2.2ClH/c1-3-7-18(8-4-1)15-21-16-19-11-13-22(14-12-19)17-20-9-5-2-6-10-20;;/h1-10,19,21H,11-17H2;2*1H
• InChIKey: PNBUTMWCPRZDOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(1-benzylpiperidin-4-yl)methyl]amine dihydrochloride
• IUPAC Traditional name: benzyl[(1-benzylpiperidin-4-yl)methyl]amine dihydrochloride
• Synonyms: N-Benzyl-N-[(1-benzylpiperidin-4-yl)methyl]amine dihydrochloride

Database IDs

• MDL Number: MFCD08594065
• PubChem SID: 160997529
• PubChem CID: 17149309

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8207428
• LogD (pH = 7.4): -0.79740185
• Log P: 3.7434747
• Molar Refractivity: 94.1877 cm^3
• Polarizability: 37.088207 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false