{[4-(difluoromethoxy)phenyl]methyl}[2-(4-methoxyphenyl)ethyl][(1-methylpiperidin-4-yl)methyl]amine

• ChemBase ID: 333558
• Molecular Formular: C24H32F2N2O2
• Molecular Mass: 418.5198864
• Monoisotopic Mass: 418.24318471
• SMILES: N1(CCC(CN(Cc2ccc(OC(F)F)cc2)CCc2ccc(cc2)OC)CC1)C
• Canonical SMILES: COc1ccc(cc1)CCN(Cc1ccc(cc1)OC(F)F)CC1CCN(CC1)C
• InChI: InChI=1S/C24H32F2N2O2/c1-27-14-11-21(12-15-27)18-28(16-13-19-3-7-22(29-2)8-4-19)17-20-5-9-23(10-6-20)30-24(25)26/h3-10,21,24H,11-18H2,1-2H3
• InChIKey: NBYFDQRKEKNTNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(difluoromethoxy)phenyl]methyl}[2-(4-methoxyphenyl)ethyl][(1-methylpiperidin-4-yl)methyl]amine
• IUPAC Traditional name: {[4-(difluoromethoxy)phenyl]methyl}[2-(4-methoxyphenyl)ethyl][(1-methylpiperidin-4-yl)methyl]amine
• Synonyms: N-[4-(difluoromethoxy)benzyl]-2-(4-methoxyphenyl)-N-[(1-methyl-4-piperidinyl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7386332
• LogD (pH = 7.4): 0.48026875
• Log P: 5.0265994
• Molar Refractivity: 117.1727 cm^3
• Polarizability: 44.991375 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.86
• LOG S: -2.69
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8