[(3,4-dimethoxyphenyl)methyl](methyl)[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]amine dihydrochloride

• ChemBase ID: 186003
• Molecular Formular: C26H40Cl2N2O2
• Molecular Mass: 483.514
• Monoisotopic Mass: 482.24668389
• SMILES: C1(CC(N(CC1C)C)C)(CCN(Cc1cc(c(cc1)OC)OC)C)c1ccccc1.Cl.Cl
• Canonical SMILES: COc1cc(ccc1OC)CN(CCC1(CC(C)N(CC1C)C)c1ccccc1)C.Cl.Cl
• InChI: InChI=1S/C26H38N2O2.2ClH/c1-20-18-28(4)21(2)17-26(20,23-10-8-7-9-11-23)14-15-27(3)19-22-12-13-24(29-5)25(16-22)30-6;;/h7-13,16,20-21H,14-15,17-19H2,1-6H3;2*1H
• InChIKey: LGHYGYOQSAJLLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl](methyl)[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl](methyl)[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]amine dihydrochloride

Database IDs

• PubChem SID: 164241913
• PubChem CID: 52993445

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9110696
• LogD (pH = 7.4): 0.7867398
• Log P: 4.6687207
• Molar Refractivity: 125.9347 cm^3
• Polarizability: 49.3485 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl
• Description: Diastereomers
• Classification: Derivatives & analogs of Natural Compounds