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

• ChemBase ID: 688166
• Molecular Formular: C17H27N3O2
• Molecular Mass: 305.41518
• Monoisotopic Mass: 305.21032712
• SMILES: N1(CC(CN2CCOCC2)CCC1)Cc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)CN1CCCC(C1)CN1CCOCC1
• InChI: InChI=1S/C17H27N3O2/c1-21-17-5-4-15(11-18-17)12-20-6-2-3-16(14-20)13-19-7-9-22-10-8-19/h4-5,11,16H,2-3,6-10,12-14H2,1H3
• InChIKey: XQLRFZSIBKNIPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.4367108
• LogD (pH = 7.4): 0.10620394
• Log P: 1.4442196
• Molar Refractivity: 88.4653 cm^3
• Polarizability: 34.49176 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: 1.03
• LOG S: -1.3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 5