2-methyl-6-(piperidin-3-yl)pyridin-4-ol dihydrochloride

• ChemBase ID: 63055
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: n1c(cc(cc1C)O)C1CNCCC1.Cl.Cl
• Canonical SMILES: Oc1cc(nc(c1)C)C1CCCNC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-8-5-10(14)6-11(13-8)9-3-2-4-12-7-9;;/h5-6,9,12H,2-4,7H2,1H3,(H,13,14);2*1H
• InChIKey: ONCHXEJKIGKJJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606277
• PubChem SID: 162028794
• PubChem CID: 71299002

CALCULATED PROPERTIES

• Acid pKa: 11.571511
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2225716
• LogD (pH = 7.4): -1.2804397
• Log P: 0.8503256
• Molar Refractivity: 55.3426 cm^3
• Polarizability: 21.722569 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