1-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}methyl)piperazine

• ChemBase ID: 242185
• Molecular Formular: C13H22N4
• Molecular Mass: 234.34058
• Monoisotopic Mass: 234.18444672
• SMILES: c1(n2c(nc1C)CCCC2)CN1CCNCC1
• Canonical SMILES: Cc1nc2n(c1CN1CCNCC1)CCCC2
• InChI: InChI=1S/C13H22N4/c1-11-12(10-16-8-5-14-6-9-16)17-7-3-2-4-13(17)15-11/h14H,2-10H2,1H3
• InChIKey: WXMHQTNASCFIJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}methyl)piperazine
• IUPAC Traditional name: 1-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}methyl)piperazine
• Synonyms: 1-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}methyl)piperazine

Database IDs

• MDL Number: MFCD23143985
• PubChem SID: 164298095
• PubChem CID: 71695456

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8556762
• LogD (pH = 7.4): -1.5656759
• Log P: 0.32992792
• Molar Refractivity: 69.6136 cm^3
• Polarizability: 26.915876 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): 0.782

Product Information

• Purity: 95%