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

• ChemBase ID: 584693
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: C(=O)(N1C(CCN2CCOCC2)CCCC1)c1c(nccc1)O
• Canonical SMILES: O=C(c1cccnc1O)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C17H25N3O3/c21-16-15(5-3-7-18-16)17(22)20-8-2-1-4-14(20)6-9-19-10-12-23-13-11-19/h3,5,7,14H,1-2,4,6,8-13H2,(H,18,21)
• InChIKey: AACGKWCPZQTAAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.015535
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.21900322
• LogD (pH = 7.4): 1.607054
• Log P: 1.764695
• Molar Refractivity: 88.8385 cm^3
• Polarizability: 33.909855 Å^3
• Polar Surface Area: 65.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.65
• LOG S: -2.28
• Polar Surface Area: 65.9 Å^2
• Rotatable Bonds: 4