1-{imidazo[1,2-a]pyridin-2-ylmethyl}piperazine

• ChemBase ID: 115936
• Molecular Formular: C12H16N4
• Molecular Mass: 216.28224
• Monoisotopic Mass: 216.13749653
• SMILES: n1c2n(cc1CN1CCNCC1)cccc2
• Canonical SMILES: N1CCN(CC1)Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C12H16N4/c1-2-6-16-10-11(14-12(16)3-1)9-15-7-4-13-5-8-15/h1-3,6,10,13H,4-5,7-9H2
• InChIKey: GLOGXBQRIAHTIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}piperazine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}piperazine
• Synonyms: 2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine dihydrocloride; 2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD07692317
• PubChem SID: 162106990
• PubChem CID: 7063900

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4081311
• LogD (pH = 7.4): -1.574898
• Log P: 0.24648972
• Molar Refractivity: 64.7123 cm^3
• Polarizability: 24.820215 Å^3
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.02
• Hydrophobicity(logP): 0.939

Product Information

• Purity: 95%
• Salt Data: 2 HCl