(3R,4R)-1-{furo[3,2-c]pyridin-4-yl}-4-(morpholin-4-yl)piperidin-3-ol

• ChemBase ID: 761890
• Molecular Formular: C16H21N3O3
• Molecular Mass: 303.35624
• Monoisotopic Mass: 303.15829155
• SMILES: c1(N2C[C@H]([C@H](N3CCOCC3)CC2)O)c2c(occ2)ccn1
• Canonical SMILES: O[C@@H]1CN(CC[C@H]1N1CCOCC1)c1nccc2c1cco2
• InChI: InChI=1S/C16H21N3O3/c20-14-11-19(5-2-13(14)18-6-9-21-10-7-18)16-12-3-8-22-15(12)1-4-17-16/h1,3-4,8,13-14,20H,2,5-7,9-11H2/t13-,14-/m1/s1
• InChIKey: DIMQMEYEYMHDIE-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-1-{furo[3,2-c]pyridin-4-yl}-4-(morpholin-4-yl)piperidin-3-ol
• IUPAC Traditional name: (3R,4R)-1-{furo[3,2-c]pyridin-4-yl}-4-(morpholin-4-yl)piperidin-3-ol
• Synonyms: (3R*,4R*)-1-furo[3,2-c]pyridin-4-yl-4-(4-morpholinyl)-3-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.207054
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0769572
• LogD (pH = 7.4): 0.5395281
• Log P: 0.73520917
• Molar Refractivity: 83.107 cm^3
• Polarizability: 32.906223 Å^3
• Polar Surface Area: 61.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.09
• LOG S: -0.48
• Polar Surface Area: 61.97 Å^2
• Rotatable Bonds: 2