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

• ChemBase ID: 572625
• Molecular Formular: C16H24FN3O
• Molecular Mass: 293.3796632
• Monoisotopic Mass: 293.19034062
• SMILES: N1(C2CCN(c3c(F)cncc3)CC2)C[C@@H](O[C@@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C1CCN(CC1)c1ccncc1F
• InChI: InChI=1S/C16H24FN3O/c1-12-10-20(11-13(2)21-12)14-4-7-19(8-5-14)16-3-6-18-9-15(16)17/h3,6,9,12-14H,4-5,7-8,10-11H2,1-2H3/t12-,13+
• InChIKey: PMWCWFGWMFLTEU-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4210049
• LogD (pH = 7.4): 0.87590915
• Log P: 1.6477749
• Molar Refractivity: 81.9093 cm^3
• Polarizability: 31.248838 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.05
• LOG S: -2.08
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 2