1-(pyridin-2-yl)piperidin-4-ol

• ChemBase ID: 15883
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C1(CCN(CC1)c1ncccc1)O
• Canonical SMILES: OC1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C10H14N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6,9,13H,4-5,7-8H2
• InChIKey: UCNPUVAHPJTRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(pyridin-2-yl)piperidin-4-ol
• Synonyms: 1-(Pyridin-2-yl)piperidin-4-ol

Database IDs

• CAS Number: 199117-78-7
• MDL Number: MFCD01471641
• PubChem SID: 160979190
• PubChem CID: 10607417

CALCULATED PROPERTIES

• Acid pKa: 15.177715
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.107584246
• LogD (pH = 7.4): 0.7318841
• Log P: 0.7761344
• Molar Refractivity: 52.3675 cm^3
• Polarizability: 19.665348 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false