({1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl}methyl)[(4-methoxyphenyl)methyl]methylamine

• ChemBase ID: 827809
• Molecular Formular: C24H34N2O2
• Molecular Mass: 382.53896
• Monoisotopic Mass: 382.26202834
• SMILES: N1(CC(CN(Cc2ccc(cc2)OC)C)CCC1)CCc1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)CN(CC1CCCN(C1)CCc1ccccc1OC)C
• InChI: InChI=1S/C24H34N2O2/c1-25(17-20-10-12-23(27-2)13-11-20)18-21-7-6-15-26(19-21)16-14-22-8-4-5-9-24(22)28-3/h4-5,8-13,21H,6-7,14-19H2,1-3H3
• InChIKey: AJIDKZXOOFZLPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl}methyl)[(4-methoxyphenyl)methyl]methylamine
• IUPAC Traditional name: ({1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl}methyl)[(4-methoxyphenyl)methyl]methylamine
• Synonyms: (4-methoxybenzyl)({1-[2-(2-methoxyphenyl)ethyl]-3-piperidinyl}methyl)methylamine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): -1.4033381
• LogD (pH = 7.4): 1.2920444
• Log P: 4.141398
• Molar Refractivity: 117.065 cm^3
• Polarizability: 45.657322 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0

供应商提供(Chembridge)

• Log P: 4.42
• LOG S: -2.96
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0