1-(3,3-diphenylpiperidin-1-yl)-2-[(2-methoxyethyl)(methyl)amino]ethan-1-one

• ChemBase ID: 636321
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: N1(C(=O)CN(CCOC)C)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: COCCN(CC(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C23H30N2O2/c1-24(16-17-27-2)18-22(26)25-15-9-14-23(19-25,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3
• InChIKey: BSDXRBDNJSUOAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,3-diphenylpiperidin-1-yl)-2-[(2-methoxyethyl)(methyl)amino]ethan-1-one
• IUPAC Traditional name: 1-(3,3-diphenylpiperidin-1-yl)-2-[(2-methoxyethyl)(methyl)amino]ethanone
• Synonyms: 2-(3,3-diphenylpiperidin-1-yl)-N-(2-methoxyethyl)-N-methyl-2-oxoethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4108995
• LogD (pH = 7.4): 2.9061978
• Log P: 3.1225345
• Molar Refractivity: 120.4279 cm^3
• Polarizability: 42.89628 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.23
• LOG S: -4.43
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7