2-(morpholin-2-yl)-1-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-one

• ChemBase ID: 536294
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: C(=O)(N1CC=C(CC1)c1ccccc1)CC1OCCNC1
• Canonical SMILES: O=C(N1CCC(=CC1)c1ccccc1)CC1CNCCO1
• InChI: InChI=1S/C17H22N2O2/c20-17(12-16-13-18-8-11-21-16)19-9-6-15(7-10-19)14-4-2-1-3-5-14/h1-6,16,18H,7-13H2
• InChIKey: CHRZWUWMVXDPRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-2-yl)-1-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-(morpholin-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
• Synonyms: 2-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6026524
• LogD (pH = 7.4): 0.08617721
• Log P: 1.1640443
• Molar Refractivity: 83.3193 cm^3
• Polarizability: 32.386932 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.04
• LOG S: -2.18
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3