1-[(3,4-dimethoxyphenyl)methyl]-N-phenylpiperidin-3-amine

• ChemBase ID: 787613
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: N1(Cc2cc(c(cc2)OC)OC)CC(Nc2ccccc2)CCC1
• Canonical SMILES: COc1cc(ccc1OC)CN1CCCC(C1)Nc1ccccc1
• InChI: InChI=1S/C20H26N2O2/c1-23-19-11-10-16(13-20(19)24-2)14-22-12-6-9-18(15-22)21-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18,21H,6,9,12,14-15H2,1-2H3
• InChIKey: SGPYRPULOCDYPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3,4-dimethoxyphenyl)methyl]-N-phenylpiperidin-3-amine
• IUPAC Traditional name: 1-[(3,4-dimethoxyphenyl)methyl]-N-phenylpiperidin-3-amine
• Synonyms: 1-(3,4-dimethoxybenzyl)-N-phenyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.58522993
• LogD (pH = 7.4): 2.3543208
• Log P: 3.3393636
• Molar Refractivity: 99.0211 cm^3
• Polarizability: 37.95977 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.84
• LOG S: -3.38
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 4