1-({2,7-dimethylimidazo[1,2-a]pyridin-3-yl}methyl)piperazine

• ChemBase ID: 245461
• Molecular Formular: C14H20N4
• Molecular Mass: 244.3354
• Monoisotopic Mass: 244.16879666
• SMILES: n12c(nc(c1CN1CCNCC1)C)cc(cc2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2CN1CCNCC1)C
• InChI: InChI=1S/C14H20N4/c1-11-3-6-18-13(12(2)16-14(18)9-11)10-17-7-4-15-5-8-17/h3,6,9,15H,4-5,7-8,10H2,1-2H3
• InChIKey: GQVOQYUSGMSHBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2,7-dimethylimidazo[1,2-a]pyridin-3-yl}methyl)piperazine
• IUPAC Traditional name: 1-({2,7-dimethylimidazo[1,2-a]pyridin-3-yl}methyl)piperazine
• Synonyms: 2,7-dimethyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD06655297
• PubChem SID: 164301371
• PubChem CID: 4961847

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0847578
• LogD (pH = 7.4): -1.122896
• Log P: 0.72981054
• Molar Refractivity: 74.7447 cm^3
• Polarizability: 28.353304 Å^3
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 1.657

Product Information

• Purity: 95%