3-(piperidin-4-yloxy)pyridazine

• ChemBase ID: 115768
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: n1ncccc1OC1CCNCC1
• Canonical SMILES: N1CCC(CC1)Oc1cccnn1
• InChI: InChI=1S/C9H13N3O/c1-2-9(12-11-5-1)13-8-3-6-10-7-4-8/h1-2,5,8,10H,3-4,6-7H2
• InChIKey: XSOUKQOKGADJMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-yloxy)pyridazine
• IUPAC Traditional name: 3-(piperidin-4-yloxy)pyridazine
• Synonyms: 3-(piperidin-4-yloxy)pyridazine hydrochloride

Database IDs

• MDL Number: MFCD16652932
• PubChem SID: 162101368
• PubChem CID: 49657815

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3510754
• LogD (pH = 7.4): -2.506657
• Log P: -0.14365211
• Molar Refractivity: 50.6975 cm^3
• Polarizability: 19.23309 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.535

Product Information

• Purity: 95+%
• Salt Data: HCl