6-(piperidin-1-yl)pyridazin-3-ol

• ChemBase ID: 114262
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: n1c(N2CCCCC2)ccc(n1)O
• Canonical SMILES: Oc1ccc(nn1)N1CCCCC1
• InChI: InChI=1S/C9H13N3O/c13-9-5-4-8(10-11-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,11,13)
• InChIKey: XFJRVCBSSKKEQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-1-yl)pyridazin-3-ol
• IUPAC Traditional name: 6-(piperidin-1-yl)pyridazin-3-ol
• Synonyms: 6-piperidin-1-ylpyridazin-3-ol

Database IDs

• MDL Number: MFCD16652710
• PubChem SID: 162099315
• PubChem CID: 13274968

CALCULATED PROPERTIES

• Acid pKa: 9.13295
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6172384
• LogD (pH = 7.4): 1.6116658
• Log P: 1.6195632
• Molar Refractivity: 52.9429 cm^3
• Polarizability: 18.782616 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.303

Product Information

• Purity: 95+%