N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine

• ChemBase ID: 533157
• Molecular Formular: C24H34N2O2
• Molecular Mass: 382.53896
• Monoisotopic Mass: 382.26202834
• SMILES: N1(CC(N(CCc2cc(c(cc2)OC)OC)C)CCC1)CCc1ccccc1
• Canonical SMILES: COc1cc(CCN(C2CCCN(C2)CCc2ccccc2)C)ccc1OC
• InChI: InChI=1S/C24H34N2O2/c1-25(16-13-21-11-12-23(27-2)24(18-21)28-3)22-10-7-15-26(19-22)17-14-20-8-5-4-6-9-20/h4-6,8-9,11-12,18,22H,7,10,13-17,19H2,1-3H3
• InChIKey: QCFLFSFXOOEWED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
• IUPAC Traditional name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
• Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-phenylethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.42978445
• LogD (pH = 7.4): 1.9631827
• Log P: 4.3853045
• Molar Refractivity: 116.88 cm^3
• Polarizability: 45.581387 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: 4.85
• LOG S: -2.98
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7