{[1-(2-methoxyethyl)piperidin-4-yl]methyl}[(2-methylphenyl)methyl](pyridin-4-ylmethyl)amine

• ChemBase ID: 390463
• Molecular Formular: C23H33N3O
• Molecular Mass: 367.52762
• Monoisotopic Mass: 367.26236269
• SMILES: N(Cc1c(C)cccc1)(Cc1ccncc1)CC1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)CN(Cc1ccccc1C)Cc1ccncc1
• InChI: InChI=1S/C23H33N3O/c1-20-5-3-4-6-23(20)19-26(17-21-7-11-24-12-8-21)18-22-9-13-25(14-10-22)15-16-27-2/h3-8,11-12,22H,9-10,13-19H2,1-2H3
• InChIKey: MXBHJYNPDVSGEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}[(2-methylphenyl)methyl](pyridin-4-ylmethyl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}[(2-methylphenyl)methyl](pyridin-4-ylmethyl)amine
• Synonyms: 1-[1-(2-methoxyethyl)-4-piperidinyl]-N-(2-methylbenzyl)-N-(4-pyridinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.1945498
• LogD (pH = 7.4): -0.22647482
• Log P: 3.375296
• Molar Refractivity: 113.4102 cm^3
• Polarizability: 44.099854 Å^3
• Polar Surface Area: 28.6 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: 3.42
• LOG S: -1.87
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8