2-[(2-methoxyethyl)(methyl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]ethan-1-one

• ChemBase ID: 379509
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N1(C(=O)CN(CCOC)C)CCC(CC1)CCc1ccccc1
• Canonical SMILES: COCCN(CC(=O)N1CCC(CC1)CCc1ccccc1)C
• InChI: InChI=1S/C19H30N2O2/c1-20(14-15-23-2)16-19(22)21-12-10-18(11-13-21)9-8-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3
• InChIKey: BYEMSTNUJYZFCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methoxyethyl)(methyl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]ethan-1-one
• IUPAC Traditional name: 2-[(2-methoxyethyl)(methyl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
• Synonyms: (2-methoxyethyl)methyl{2-oxo-2-[4-(2-phenylethyl)-1-piperidinyl]ethyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.71024936
• LogD (pH = 7.4): 2.2055647
• Log P: 2.4219134
• Molar Refractivity: 94.7194 cm^3
• Polarizability: 36.89544 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.61
• LOG S: -3.75
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8