N-methyl-1-(pyridazin-3-yl)piperidin-4-amine

• ChemBase ID: 277972
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: N1(c2nnccc2)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)c1cccnn1
• InChI: InChI=1S/C10H16N4/c1-11-9-4-7-14(8-5-9)10-3-2-6-12-13-10/h2-3,6,9,11H,4-5,7-8H2,1H3
• InChIKey: DEMPYJPTIIPUNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(pyridazin-3-yl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-1-(pyridazin-3-yl)piperidin-4-amine
• Synonyms: N-methyl-1-(pyridazin-3-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD16767465
• PubChem SID: 164333882
• PubChem CID: 54594801

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.123949
• LogD (pH = 7.4): -2.636048
• Log P: 0.12206302
• Molar Refractivity: 58.6629 cm^3
• Polarizability: 21.52763 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.762

Product Information

• Purity: 95%