(3R,4R)-4-(morpholin-4-yl)-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-3-ol

• ChemBase ID: 719964
• Molecular Formular: C18H23N3O2S
• Molecular Mass: 345.45912
• Monoisotopic Mass: 345.15109799
• SMILES: c1(nc(cs1)c1ccccc1)N1C[C@H]([C@H](N2CCOCC2)CC1)O
• Canonical SMILES: O[C@@H]1CN(CC[C@H]1N1CCOCC1)c1scc(n1)c1ccccc1
• InChI: InChI=1S/C18H23N3O2S/c22-17-12-21(7-6-16(17)20-8-10-23-11-9-20)18-19-15(13-24-18)14-4-2-1-3-5-14/h1-5,13,16-17,22H,6-12H2/t16-,17-/m1/s1
• InChIKey: MZHLIQUCMGIMHF-IAGOWNOFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-(morpholin-4-yl)-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-3-ol
• IUPAC Traditional name: (3R,4R)-4-(morpholin-4-yl)-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-3-ol
• Synonyms: (3R*,4R*)-4-(4-morpholinyl)-1-(4-phenyl-1,3-thiazol-2-yl)-3-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.205654
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3947538
• LogD (pH = 7.4): 2.503902
• Log P: 2.5754192
• Molar Refractivity: 95.5552 cm^3
• Polarizability: 38.132374 Å^3
• Polar Surface Area: 48.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.03
• LOG S: -1.59
• Polar Surface Area: 48.83 Å^2
• Rotatable Bonds: 3