2-methyl-6-(piperidin-4-yl)pyridin-4-ol hydrochloride

• ChemBase ID: 62583
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: n1c(cc(cc1C)O)C1CCNCC1.Cl
• Canonical SMILES: Oc1cc(nc(c1)C)C1CCNCC1.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-8-6-10(14)7-11(13-8)9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3,(H,13,14);1H
• InChIKey: BKJBZYCHDUXOFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(piperidin-4-yl)pyridin-4-ol hydrochloride
• IUPAC Traditional name: 2-methyl-6-(piperidin-4-yl)pyridin-4-ol hydrochloride
• Synonyms: 6-Methyl-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-4-ol hydrochloride

Database IDs

• MDL Number: MFCD21606019
• PubChem SID: 162028322
• PubChem CID: 71298765

CALCULATED PROPERTIES

• Acid pKa: 11.596754
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3984704
• LogD (pH = 7.4): -1.6630569
• Log P: 0.6831908
• Molar Refractivity: 55.4966 cm^3
• Polarizability: 21.723085 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false