1-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidin-4-ol hydrochloride

• ChemBase ID: 49083
• Molecular Formular: C12H19ClN4O2
• Molecular Mass: 286.75786
• Monoisotopic Mass: 286.11965355
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N1CCC(CC1)O.Cl
• Canonical SMILES: OC1CCN(CC1)C(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C12H18N4O2.ClH/c17-8-2-5-16(6-3-8)12(18)11-9-7-13-4-1-10(9)14-15-11;/h8,13,17H,1-7H2,(H,14,15);1H
• InChIKey: MUTTUYVUXDTXOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidin-4-ol hydrochloride
• IUPAC Traditional name: 1-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidin-4-ol hydrochloride
• Synonyms: (4-Hydroxy-1-piperidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone hydrochloride

Database IDs

• MDL Number: MFCD13562306
• PubChem SID: 162053846
• PubChem CID: 56831991

CALCULATED PROPERTIES

• Acid pKa: 12.845459
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.135738
• LogD (pH = 7.4): -2.4273994
• Log P: -1.4311309
• Molar Refractivity: 68.515 cm^3
• Polarizability: 25.365597 Å^3
• Polar Surface Area: 81.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false