(2-methoxyethyl)({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)methylamine

• ChemBase ID: 370748
• Molecular Formular: C18H30N2O2
• Molecular Mass: 306.443
• Monoisotopic Mass: 306.23072821
• SMILES: N1(Cc2c(OC)cccc2)CCC(CN(CCOC)C)CC1
• Canonical SMILES: COCCN(CC1CCN(CC1)Cc1ccccc1OC)C
• InChI: InChI=1S/C18H30N2O2/c1-19(12-13-21-2)14-16-8-10-20(11-9-16)15-17-6-4-5-7-18(17)22-3/h4-7,16H,8-15H2,1-3H3
• InChIKey: AAXJUIJGMLYDIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.202512
• LogD (pH = 7.4): -1.3136806
• Log P: 2.1974027
• Molar Refractivity: 92.3765 cm^3
• Polarizability: 36.129005 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.61
• LOG S: -0.86
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6