4-{1-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]ethyl}morpholine

• ChemBase ID: 439046
• Molecular Formular: C16H26N4O2
• Molecular Mass: 306.40324
• Monoisotopic Mass: 306.20557609
• SMILES: c1(N2CCC(C(N3CCOCC3)C)CC2)c(nccn1)OC
• Canonical SMILES: COc1nccnc1N1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C16H26N4O2/c1-13(19-9-11-22-12-10-19)14-3-7-20(8-4-14)15-16(21-2)18-6-5-17-15/h5-6,13-14H,3-4,7-12H2,1-2H3
• InChIKey: OZPXSMJUBRQRKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]ethyl}morpholine
• Synonyms: 4-{1-[1-(3-methoxy-2-pyrazinyl)-4-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.3488456
• LogD (pH = 7.4): 0.42331296
• Log P: 1.3626701
• Molar Refractivity: 87.0254 cm^3
• Polarizability: 33.22566 Å^3
• Polar Surface Area: 50.72 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: 2.06
• LOG S: -2.19
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 4