2,5-dimethyl-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazine

• ChemBase ID: 677572
• Molecular Formular: C17H22N4O
• Molecular Mass: 298.38278
• Monoisotopic Mass: 298.17936134
• SMILES: c1(N2CCC(CC2)OCc2cnccc2)nc(cnc1C)C
• Canonical SMILES: Cc1cnc(c(n1)N1CCC(CC1)OCc1cccnc1)C
• InChI: InChI=1S/C17H22N4O/c1-13-10-19-14(2)17(20-13)21-8-5-16(6-9-21)22-12-15-4-3-7-18-11-15/h3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3
• InChIKey: OOOMADQMGPTCQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazine
• IUPAC Traditional name: 2,5-dimethyl-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazine
• Synonyms: 2,5-dimethyl-3-[4-(3-pyridinylmethoxy)-1-piperidinyl]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.91038793
• LogD (pH = 7.4): 0.9702966
• Log P: 0.9711295
• Molar Refractivity: 86.6005 cm^3
• Polarizability: 32.907337 Å^3
• Polar Surface Area: 51.14 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: 1.93
• LOG S: -1.73
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4