1-(morpholin-4-yl)-3-[1-(2-phenylethyl)piperidin-3-yl]propan-1-one

• ChemBase ID: 614243
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: N1(C(=O)CCC2CN(CCc3ccccc3)CCC2)CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)CCC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C20H30N2O2/c23-20(22-13-15-24-16-14-22)9-8-19-7-4-11-21(17-19)12-10-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2
• InChIKey: ZCLVGAPMPJWYCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-3-[1-(2-phenylethyl)piperidin-3-yl]propan-1-one
• IUPAC Traditional name: 1-(morpholin-4-yl)-3-[1-(2-phenylethyl)piperidin-3-yl]propan-1-one
• Synonyms: 4-{3-[1-(2-phenylethyl)-3-piperidinyl]propanoyl}morpholine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): -0.9498708
• LogD (pH = 7.4): 0.40565845
• Log P: 2.4094474
• Molar Refractivity: 97.5268 cm^3
• Polarizability: 38.005978 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 2.32
• LOG S: -2.03
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0