1-ethyl-N-(2-methoxyethyl)-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)piperidin-4-amine

• ChemBase ID: 335933
• Molecular Formular: C24H41N3O2
• Molecular Mass: 403.60124
• Monoisotopic Mass: 403.31987757
• SMILES: N1(Cc2c(OC)cccc2)CCC(CN(C2CCN(CC2)CC)CCOC)CC1
• Canonical SMILES: COCCN(C1CCN(CC1)CC)CC1CCN(CC1)Cc1ccccc1OC
• InChI: InChI=1S/C24H41N3O2/c1-4-25-15-11-23(12-16-25)27(17-18-28-2)19-21-9-13-26(14-10-21)20-22-7-5-6-8-24(22)29-3/h5-8,21,23H,4,9-20H2,1-3H3
• InChIKey: FTSPIZKCQDUILB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-(2-methoxyethyl)-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)piperidin-4-amine
• IUPAC Traditional name: 1-ethyl-N-(2-methoxyethyl)-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)piperidin-4-amine
• Synonyms: 1-ethyl-N-{[1-(2-methoxybenzyl)-4-piperidinyl]methyl}-N-(2-methoxyethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -5.7344704
• LogD (pH = 7.4): -2.0293076
• Log P: 2.5810168
• Molar Refractivity: 122.5762 cm^3
• Polarizability: 47.98717 Å^3
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.2
• LOG S: -0.87
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 7