4-{1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethyl}morpholine

• ChemBase ID: 571549
• Molecular Formular: C17H28N4O
• Molecular Mass: 304.43042
• Monoisotopic Mass: 304.22631154
• SMILES: c1(N2CCC(C(N3CCOCC3)C)CC2)ncc(cn1)CC
• Canonical SMILES: CCc1cnc(nc1)N1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C17H28N4O/c1-3-15-12-18-17(19-13-15)21-6-4-16(5-7-21)14(2)20-8-10-22-11-9-20/h12-14,16H,3-11H2,1-2H3
• InChIKey: KAOQHRAGDCEHRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethyl}morpholine
• Synonyms: 4-{1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.24092573
• LogD (pH = 7.4): 1.5316207
• Log P: 2.4800367
• Molar Refractivity: 90.5015 cm^3
• Polarizability: 34.300896 Å^3
• Polar Surface Area: 41.49 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: 2.63
• LOG S: -2.66
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4