2-methoxy-3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyrazine

• ChemBase ID: 461353
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: N1(c2c(nccn2)OC)CC(N2C(C)CCCC2)C1
• Canonical SMILES: COc1nccnc1N1CC(C1)N1CCCCC1C
• InChI: InChI=1S/C14H22N4O/c1-11-5-3-4-8-18(11)12-9-17(10-12)13-14(19-2)16-7-6-15-13/h6-7,11-12H,3-5,8-10H2,1-2H3
• InChIKey: NYIHCTMWRCCUKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyrazine
• IUPAC Traditional name: 2-methoxy-3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyrazine
• Synonyms: 2-methoxy-3-[3-(2-methyl-1-piperidinyl)-1-azetidinyl]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.3677166
• LogD (pH = 7.4): 1.348267
• Log P: 1.8510164
• Molar Refractivity: 75.5441 cm^3
• Polarizability: 28.843296 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.86
• LOG S: -2.55
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3