[(4-methoxy-3-methylphenyl)methyl][2-(4-methoxyphenyl)ethyl][(1-methylpiperidin-4-yl)methyl]amine

• ChemBase ID: 460062
• Molecular Formular: C25H36N2O2
• Molecular Mass: 396.56554
• Monoisotopic Mass: 396.2776784
• SMILES: N1(CCC(CN(Cc2cc(c(cc2)OC)C)CCc2ccc(cc2)OC)CC1)C
• Canonical SMILES: COc1ccc(cc1)CCN(Cc1ccc(c(c1)C)OC)CC1CCN(CC1)C
• InChI: InChI=1S/C25H36N2O2/c1-20-17-23(7-10-25(20)29-4)19-27(18-22-11-14-26(2)15-12-22)16-13-21-5-8-24(28-3)9-6-21/h5-10,17,22H,11-16,18-19H2,1-4H3
• InChIKey: RZDGFGWLBSCLJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxy-3-methylphenyl)methyl][2-(4-methoxyphenyl)ethyl][(1-methylpiperidin-4-yl)methyl]amine
• IUPAC Traditional name: [(4-methoxy-3-methylphenyl)methyl][2-(4-methoxyphenyl)ethyl][(1-methylpiperidin-4-yl)methyl]amine
• Synonyms: (4-methoxy-3-methylbenzyl)[2-(4-methoxyphenyl)ethyl][(1-methyl-4-piperidinyl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1574864
• LogD (pH = 7.4): -0.020169983
• Log P: 4.6132627
• Molar Refractivity: 122.205 cm^3
• Polarizability: 47.422997 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.92
• LOG S: -2.45
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7