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

• ChemBase ID: 76405
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1CCC(c2ccncc2)(CC1)O
• Canonical SMILES: OC1(CCNCC1)c1ccncc1
• InChI: InChI=1S/C10H14N2O/c13-10(3-7-12-8-4-10)9-1-5-11-6-2-9/h1-2,5-6,12-13H,3-4,7-8H2
• InChIKey: BMUVABKFVGHPFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-4-yl)piperidin-4-ol
• IUPAC Traditional name: 4-(pyridin-4-yl)piperidin-4-ol
• Synonyms: 4-Hydroxy-4-pyridin-4-ylpiperidine

Database IDs

• CAS Number: 233261-75-1
• MDL Number: MFCD04117759
• PubChem SID: 162041310
• PubChem CID: 3726959

CALCULATED PROPERTIES

• Acid pKa: 13.865762
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6881225
• LogD (pH = 7.4): -2.3961277
• Log P: -0.44424948
• Molar Refractivity: 50.763 cm^3
• Polarizability: 20.045935 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant