6-(piperidin-4-yl)pyridin-3-ol

• ChemBase ID: 813926
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1cc(ccc1C1CCNCC1)O
• Canonical SMILES: Oc1ccc(nc1)C1CCNCC1
• InChI: InChI=1S/C10H14N2O/c13-9-1-2-10(12-7-9)8-3-5-11-6-4-8/h1-2,7-8,11,13H,3-6H2
• InChIKey: CLBZAZFGEWOCGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-4-yl)pyridin-3-ol
• IUPAC Traditional name: 6-(piperidin-4-yl)pyridin-3-ol
• Synonyms: 6-(piperidin-4-yl)pyridin-3-ol

Database IDs

• CAS Number: 1196156-23-6

CALCULATED PROPERTIES

• Acid pKa: 9.3570175
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5213492
• LogD (pH = 7.4): -1.636405
• Log P: -0.0011738472
• Molar Refractivity: 50.9051 cm^3
• Polarizability: 19.960236 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%