2-(2-phenylethyl)-4-(pyridine-2-carbonyl)morpholine

• ChemBase ID: 854841
• Molecular Formular: C18H20N2O2
• Molecular Mass: 296.3636
• Monoisotopic Mass: 296.15247789
• SMILES: N1(C(=O)c2ncccc2)CC(OCC1)CCc1ccccc1
• Canonical SMILES: O=C(c1ccccn1)N1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C18H20N2O2/c21-18(17-8-4-5-11-19-17)20-12-13-22-16(14-20)10-9-15-6-2-1-3-7-15/h1-8,11,16H,9-10,12-14H2
• InChIKey: JPULSXKHOKGFNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethyl)-4-(pyridine-2-carbonyl)morpholine
• IUPAC Traditional name: 2-(2-phenylethyl)-4-(pyridine-2-carbonyl)morpholine
• Synonyms: 2-(2-phenylethyl)-4-(2-pyridinylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7383704
• LogD (pH = 7.4): 2.7383854
• Log P: 2.7383857
• Molar Refractivity: 85.1142 cm^3
• Polarizability: 32.79742 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.14
• LOG S: -3.76
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4