3-(piperidin-3-yloxy)pyridazine

• ChemBase ID: 115778
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: n1ncccc1OC1CNCCC1
• Canonical SMILES: C1CCC(CN1)Oc1cccnn1
• InChI: InChI=1S/C9H13N3O/c1-3-8(7-10-5-1)13-9-4-2-6-11-12-9/h2,4,6,8,10H,1,3,5,7H2
• InChIKey: CJXWLVXDIFQFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16652940
• PubChem SID: 162100808
• PubChem CID: 49657823

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8290884
• LogD (pH = 7.4): -1.6029099
• Log P: 0.31375083
• Molar Refractivity: 50.4767 cm^3
• Polarizability: 19.233055 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