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

• ChemBase ID: 321041
• Molecular Formular: C25H36N2O2
• Molecular Mass: 396.56554
• Monoisotopic Mass: 396.2776784
• SMILES: c1(CN(CC2CN(CCc3cc(OC)ccc3)CCC2)CC)c(OC)cccc1
• Canonical SMILES: CCN(Cc1ccccc1OC)CC1CCCN(C1)CCc1cccc(c1)OC
• InChI: InChI=1S/C25H36N2O2/c1-4-26(20-23-11-5-6-13-25(23)29-3)18-22-10-8-15-27(19-22)16-14-21-9-7-12-24(17-21)28-2/h5-7,9,11-13,17,22H,4,8,10,14-16,18-20H2,1-3H3
• InChIKey: GCUMGXTWNISIRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.81272537
• LogD (pH = 7.4): 1.9567175
• Log P: 4.498206
• Molar Refractivity: 121.8136 cm^3
• Polarizability: 47.502598 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.95
• LOG S: -2.82
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7