4-(1-{1-[(6-methoxypyridin-3-yl)methyl]piperidin-4-yl}ethyl)morpholine

• ChemBase ID: 776332
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: N1(C(C2CCN(Cc3cnc(cc3)OC)CC2)C)CCOCC1
• Canonical SMILES: COc1ccc(cn1)CN1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C18H29N3O2/c1-15(21-9-11-23-12-10-21)17-5-7-20(8-6-17)14-16-3-4-18(22-2)19-13-16/h3-4,13,15,17H,5-12,14H2,1-2H3
• InChIKey: INXPAZFWTHWXJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{1-[(6-methoxypyridin-3-yl)methyl]piperidin-4-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(1-{1-[(6-methoxypyridin-3-yl)methyl]piperidin-4-yl}ethyl)morpholine
• Synonyms: 4-(1-{1-[(6-methoxypyridin-3-yl)methyl]piperidin-4-yl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.3740342
• LogD (pH = 7.4): 0.076023266
• Log P: 1.8192378
• Molar Refractivity: 92.9829 cm^3
• Polarizability: 36.33416 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.42
• LOG S: -1.73
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 5