4-{2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl}morpholine

• ChemBase ID: 610231
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C1(C(=O)c2ccc(cc2)c2ccccc2)CN(CCN2CCOCC2)CCC1
• Canonical SMILES: O=C(c1ccc(cc1)c1ccccc1)C1CCCN(C1)CCN1CCOCC1
• InChI: InChI=1S/C24H30N2O2/c27-24(22-10-8-21(9-11-22)20-5-2-1-3-6-20)23-7-4-12-26(19-23)14-13-25-15-17-28-18-16-25/h1-3,5-6,8-11,23H,4,7,12-19H2
• InChIKey: AXMBKBXPSRMAAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl}morpholine
• Synonyms: biphenyl-4-yl[1-(2-morpholin-4-ylethyl)piperidin-3-yl]methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.491468
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.85396594
• LogD (pH = 7.4): 2.6245165
• Log P: 3.620796
• Molar Refractivity: 114.2629 cm^3
• Polarizability: 45.782974 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.86
• LOG S: -4.25
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6