1-(3,3-diphenylpiperidin-1-yl)-3-(morpholin-4-yl)propan-1-one

• ChemBase ID: 575762
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: N1(CC(c2ccccc2)(c2ccccc2)CCC1)C(=O)CCN1CCOCC1
• Canonical SMILES: O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)CCN1CCOCC1
• InChI: InChI=1S/C24H30N2O2/c27-23(12-15-25-16-18-28-19-17-25)26-14-7-13-24(20-26,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2
• InChIKey: ZUXGIKFCFWIRBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,3-diphenylpiperidin-1-yl)-3-(morpholin-4-yl)propan-1-one
• IUPAC Traditional name: 1-(3,3-diphenylpiperidin-1-yl)-3-(morpholin-4-yl)propan-1-one
• Synonyms: 4-[3-(3,3-diphenylpiperidin-1-yl)-3-oxopropyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5481956
• LogD (pH = 7.4): 2.9993882
• Log P: 3.1880224
• Molar Refractivity: 123.1583 cm^3
• Polarizability: 44.00579 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.52
• LOG S: -4.5
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5