1-[2-(3-phenylpropyl)morpholin-4-yl]-2-(piperidin-1-yl)ethan-1-one

• ChemBase ID: 863924
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: N1(C(=O)CN2CCCCC2)CC(OCC1)CCCc1ccccc1
• Canonical SMILES: O=C(N1CCOC(C1)CCCc1ccccc1)CN1CCCCC1
• InChI: InChI=1S/C20H30N2O2/c23-20(17-21-12-5-2-6-13-21)22-14-15-24-19(16-22)11-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2
• InChIKey: MXOYXCKIMKZHGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-phenylpropyl)morpholin-4-yl]-2-(piperidin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-[2-(3-phenylpropyl)morpholin-4-yl]-2-(piperidin-1-yl)ethanone
• Synonyms: 2-(3-phenylpropyl)-4-(1-piperidinylacetyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.70988727
• LogD (pH = 7.4): 2.4185147
• Log P: 2.9024668
• Molar Refractivity: 97.1446 cm^3
• Polarizability: 38.006813 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: 3.92
• LOG S: -4.96
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6