4-{[3-(5-methoxypyridin-3-yl)phenyl]methyl}morpholine

• ChemBase ID: 319663
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: N1(Cc2cc(c3cc(cnc3)OC)ccc2)CCOCC1
• Canonical SMILES: COc1cncc(c1)c1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C17H20N2O2/c1-20-17-10-16(11-18-12-17)15-4-2-3-14(9-15)13-19-5-7-21-8-6-19/h2-4,9-12H,5-8,13H2,1H3
• InChIKey: OLHKDFWHODFMTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(5-methoxypyridin-3-yl)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[3-(5-methoxypyridin-3-yl)phenyl]methyl}morpholine
• Synonyms: 4-[3-(5-methoxypyridin-3-yl)benzyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.34824264
• LogD (pH = 7.4): 1.7926811
• Log P: 1.9680238
• Molar Refractivity: 83.1177 cm^3
• Polarizability: 33.62394 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -2.57
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4