4-{2-[4-(pyrimidin-4-yl)piperazin-1-yl]ethyl}morpholine

• ChemBase ID: 483006
• Molecular Formular: C14H23N5O
• Molecular Mass: 277.36532
• Monoisotopic Mass: 277.19026038
• SMILES: N1(c2ncncc2)CCN(CC1)CCN1CCOCC1
• Canonical SMILES: O1CCN(CC1)CCN1CCN(CC1)c1ccncn1
• InChI: InChI=1S/C14H23N5O/c1-2-15-13-16-14(1)19-7-5-17(6-8-19)3-4-18-9-11-20-12-10-18/h1-2,13H,3-12H2
• InChIKey: FJBDBFOAMPJJNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[4-(pyrimidin-4-yl)piperazin-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[4-(pyrimidin-4-yl)piperazin-1-yl]ethyl}morpholine
• Synonyms: 4-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.9260482
• LogD (pH = 7.4): -0.08826458
• Log P: 0.3995005
• Molar Refractivity: 80.6081 cm^3
• Polarizability: 30.379435 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.19
• LOG S: 0.56
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 4