4-{[3-(3-methoxypyrazin-2-yl)phenyl]methyl}morpholine

• ChemBase ID: 581786
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(c2cc(CN3CCOCC3)ccc2)c(nccn1)OC
• Canonical SMILES: COc1nccnc1c1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C16H19N3O2/c1-20-16-15(17-5-6-18-16)14-4-2-3-13(11-14)12-19-7-9-21-10-8-19/h2-6,11H,7-10,12H2,1H3
• InChIKey: KXOIGKGNFYWMMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(3-methoxypyrazin-2-yl)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[3-(3-methoxypyrazin-2-yl)phenyl]methyl}morpholine
• Synonyms: 4-[3-(3-methoxypyrazin-2-yl)benzyl]morpholine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 0.3900952
• LogD (pH = 7.4): 1.628598
• Log P: 1.7306592
• Molar Refractivity: 80.9023 cm^3
• Polarizability: 32.717266 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0

供应商提供(Chembridge)

• Log P: 1.92
• LOG S: -1.92
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0