2-[3-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-3-ol

• ChemBase ID: 429952
• Molecular Formular: C15H21N3O3
• Molecular Mass: 291.34554
• Monoisotopic Mass: 291.15829155
• SMILES: C(=O)(c1ncccc1O)N1CC(N2CCOCC2)CCC1
• Canonical SMILES: Oc1cccnc1C(=O)N1CCCC(C1)N1CCOCC1
• InChI: InChI=1S/C15H21N3O3/c19-13-4-1-5-16-14(13)15(20)18-6-2-3-12(11-18)17-7-9-21-10-8-17/h1,4-5,12,19H,2-3,6-11H2
• InChIKey: ADLQGNFQVNMMEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-3-ol
• IUPAC Traditional name: 2-[3-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-3-ol
• Synonyms: 2-{[3-(4-morpholinyl)-1-piperidinyl]carbonyl}-3-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.6024566
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.07684163
• LogD (pH = 7.4): 0.75573725
• Log P: 0.8178138
• Molar Refractivity: 78.6866 cm^3
• Polarizability: 30.241354 Å^3
• Polar Surface Area: 65.9 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: 0.04
• LOG S: -2.67
• Polar Surface Area: 65.9 Å^2
• Rotatable Bonds: 2