[(1-ethylpyrrolidin-2-yl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})[(6-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 840880
• Molecular Formular: C23H40N4O
• Molecular Mass: 388.5899
• Monoisotopic Mass: 388.32021192
• SMILES: N1(C(CN(Cc2nc(ccc2)C)CC2CCN(CC2)CCOC)CCC1)CC
• Canonical SMILES: COCCN1CCC(CC1)CN(Cc1cccc(n1)C)CC1CCCN1CC
• InChI: InChI=1S/C23H40N4O/c1-4-27-12-6-9-23(27)19-26(18-22-8-5-7-20(2)24-22)17-21-10-13-25(14-11-21)15-16-28-3/h5,7-8,21,23H,4,6,9-19H2,1-3H3
• InChIKey: QVXCJSMTDZQFGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethylpyrrolidin-2-yl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})[(6-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: [(1-ethylpyrrolidin-2-yl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})[(6-methylpyridin-2-yl)methyl]amine
• Synonyms: 1-(1-ethyl-2-pyrrolidinyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-[(6-methyl-2-pyridinyl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -4.7176905
• LogD (pH = 7.4): -1.6104667
• Log P: 2.1912606
• Molar Refractivity: 117.8046 cm^3
• Polarizability: 46.337307 Å^3
• Polar Surface Area: 31.84 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: 3.17
• LOG S: -0.49
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 8