(2-methoxyethyl)({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)(oxolan-3-ylmethyl)amine

• ChemBase ID: 483521
• Molecular Formular: C22H36N2O3
• Molecular Mass: 376.53284
• Monoisotopic Mass: 376.27259302
• SMILES: N1(Cc2c(OC)cccc2)CCC(CN(CC2COCC2)CCOC)CC1
• Canonical SMILES: COCCN(CC1CCOC1)CC1CCN(CC1)Cc1ccccc1OC
• InChI: InChI=1S/C22H36N2O3/c1-25-14-12-24(16-20-9-13-27-18-20)15-19-7-10-23(11-8-19)17-21-5-3-4-6-22(21)26-2/h3-6,19-20H,7-18H2,1-2H3
• InChIKey: QUOKPLROVKLTEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)(oxolan-3-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)(oxolan-3-ylmethyl)amine
• Synonyms: 2-methoxy-N-{[1-(2-methoxybenzyl)-4-piperidinyl]methyl}-N-(tetrahydro-3-furanylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -4.250553
• LogD (pH = 7.4): -1.907762
• Log P: 2.2161777
• Molar Refractivity: 110.9702 cm^3
• Polarizability: 43.44997 Å^3
• Polar Surface Area: 34.17 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: 2.43
• LOG S: -0.84
• Polar Surface Area: 34.17 Å^2
• Rotatable Bonds: 8