3-(piperidin-4-ylmethoxy)pyridazine

• ChemBase ID: 115773
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: n1ncccc1OCC1CCNCC1
• Canonical SMILES: N1CCC(CC1)COc1cccnn1
• InChI: InChI=1S/C10H15N3O/c1-2-10(13-12-5-1)14-8-9-3-6-11-7-4-9/h1-2,5,9,11H,3-4,6-8H2
• InChIKey: IJVNYLFWYSWYHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16652937
• PubChem SID: 162100920
• PubChem CID: 49657820

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.914505
• LogD (pH = 7.4): -2.4537015
• Log P: 0.31694865
• Molar Refractivity: 55.5155 cm^3
• Polarizability: 21.072243 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.701

Product Information

• Purity: 95+%
• Salt Data: HCl