4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-2-(trifluoromethyl)morpholine

• ChemBase ID: 482202
• Molecular Formular: C15H19F3N4O2
• Molecular Mass: 344.3321696
• Monoisotopic Mass: 344.14601053
• SMILES: c1(nc(N2CC(C(F)(F)F)OCC2)cnc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1cncc(n1)N1CCOC(C1)C(F)(F)F)N1CCCCC1
• InChI: InChI=1S/C15H19F3N4O2/c16-15(17,18)12-10-22(6-7-24-12)13-9-19-8-11(20-13)14(23)21-4-2-1-3-5-21/h8-9,12H,1-7,10H2
• InChIKey: FGTVAWHTHZZQLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-2-(trifluoromethyl)morpholine
• IUPAC Traditional name: 4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-2-(trifluoromethyl)morpholine
• Synonyms: 4-[6-(piperidin-1-ylcarbonyl)pyrazin-2-yl]-2-(trifluoromethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5709733
• LogD (pH = 7.4): 1.5709741
• Log P: 1.5709741
• Molar Refractivity: 81.3229 cm^3
• Polarizability: 29.649961 Å^3
• Polar Surface Area: 58.56 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: 1.0
• LOG S: -2.56
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3