4-{[1-(pyrazin-2-yl)piperidin-4-yl]methyl}morpholine

• ChemBase ID: 336323
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: N1(c2nccnc2)CCC(CN2CCOCC2)CC1
• Canonical SMILES: O1CCN(CC1)CC1CCN(CC1)c1nccnc1
• InChI: InChI=1S/C14H22N4O/c1-5-18(14-11-15-3-4-16-14)6-2-13(1)12-17-7-9-19-10-8-17/h3-4,11,13H,1-2,5-10,12H2
• InChIKey: ZZUYULYHUXYWTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(pyrazin-2-yl)piperidin-4-yl]methyl}morpholine
• IUPAC Traditional name: 4-{[1-(pyrazin-2-yl)piperidin-4-yl]methyl}morpholine
• Synonyms: 4-{[1-(2-pyrazinyl)-4-piperidinyl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.9841377
• LogD (pH = 7.4): -0.21711391
• Log P: 0.50930876
• Molar Refractivity: 75.8299 cm^3
• Polarizability: 28.852442 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: 1.13
• LOG S: -1.07
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3