(2R,6S)-4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine

• ChemBase ID: 547671
• Molecular Formular: C16H26N4O2
• Molecular Mass: 306.40324
• Monoisotopic Mass: 306.20557609
• SMILES: N1(C2CCN(c3c(nccn3)OC)CC2)C[C@@H](O[C@@H](C1)C)C
• Canonical SMILES: COc1nccnc1N1CCC(CC1)N1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C16H26N4O2/c1-12-10-20(11-13(2)22-12)14-4-8-19(9-5-14)15-16(21-3)18-7-6-17-15/h6-7,12-14H,4-5,8-11H2,1-3H3/t12-,13+
• InChIKey: GGYWDPRKZVMNMX-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6S)-4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]-2,6-dimethylmorpholine
• Synonyms: (2R*,6S*)-4-[1-(3-methoxy-2-pyrazinyl)-4-piperidinyl]-2,6-dimethylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.0431178
• LogD (pH = 7.4): 0.7054043
• Log P: 1.3186443
• Molar Refractivity: 86.6262 cm^3
• Polarizability: 33.225655 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.33
• LOG S: -2.42
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 3