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

• ChemBase ID: 709875
• Molecular Formular: C16H24ClN3O
• Molecular Mass: 309.83426
• Monoisotopic Mass: 309.16079008
• SMILES: N1(C2CCN(c3ncccc3Cl)CC2)C[C@H](O[C@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C1CCN(CC1)c1ncccc1Cl
• InChI: InChI=1S/C16H24ClN3O/c1-12-10-20(11-13(2)21-12)14-5-8-19(9-6-14)16-15(17)4-3-7-18-16/h3-4,7,12-14H,5-6,8-11H2,1-2H3/t12-,13+
• InChIKey: SWNKMGIAYUEHDF-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.20254283
• LogD (pH = 7.4): 2.002821
• Log P: 2.7035751
• Molar Refractivity: 86.8112 cm^3
• Polarizability: 33.47493 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: 2.97
• LOG S: -2.99
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 2