4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]morpholine

• ChemBase ID: 830780
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: c1(N2CCC(N3CCOCC3)CC2)nc(cc(n1)C)C
• Canonical SMILES: Cc1cc(C)nc(n1)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C15H24N4O/c1-12-11-13(2)17-15(16-12)19-5-3-14(4-6-19)18-7-9-20-10-8-18/h11,14H,3-10H2,1-2H3
• InChIKey: WQNHHLLCRAAELF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]morpholine
• IUPAC Traditional name: 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]morpholine
• Synonyms: 4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]morpholine

CALCULATED PROPERTIES

JChem

• Polarizability: 30.54091 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.989253
• LogD (pH = 7.4): 0.642549
• Log P: 0.90761137
• Molar Refractivity: 80.8055 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 0
• Log P: 1.54
• LOG S: -1.52