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

• ChemBase ID: 515361
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: N1(C(=O)CCN2CCOCC2)C(CCc2ccccc2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1CCc1ccccc1)CCN1CCOCC1
• InChI: InChI=1S/C20H30N2O2/c23-20(11-13-21-14-16-24-17-15-21)22-12-5-4-8-19(22)10-9-18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2
• InChIKey: SDFJIEVVNBSWFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1379459
• LogD (pH = 7.4): 2.5346868
• Log P: 2.6949108
• Molar Refractivity: 97.243 cm^3
• Polarizability: 38.083366 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: 3
• H Donor: 0
• Log P: 3.0
• LOG S: -4.17
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6