1-(1H-indazole-6-carbonyl)piperidin-4-ol

• ChemBase ID: 239555
• Molecular Formular: C13H15N3O2
• Molecular Mass: 245.2771
• Monoisotopic Mass: 245.11642674
• SMILES: C(=O)(N1CCC(CC1)O)c1cc2[nH]ncc2cc1
• Canonical SMILES: OC1CCN(CC1)C(=O)c1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C13H15N3O2/c17-11-3-5-16(6-4-11)13(18)9-1-2-10-8-14-15-12(10)7-9/h1-2,7-8,11,17H,3-6H2,(H,14,15)
• InChIKey: NZIOZEGYBLDNFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1H-indazole-6-carbonyl)piperidin-4-ol
• IUPAC Traditional name: 1-(1H-indazole-6-carbonyl)piperidin-4-ol
• Synonyms: 1-(1H-indazole-6-carbonyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD12073257
• PubChem SID: 164295465
• PubChem CID: 43502633

CALCULATED PROPERTIES

• Acid pKa: 10.275211
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.08766113
• LogD (pH = 7.4): -0.088204786
• Log P: -0.08764029
• Molar Refractivity: 68.6692 cm^3
• Polarizability: 26.570509 Å^3
• Polar Surface Area: 69.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.326

Product Information

• Purity: 95%