1-({6-chloroimidazo[1,2-a]pyridin-2-yl}methyl)piperazine

• ChemBase ID: 265184
• Molecular Formular: C12H15ClN4
• Molecular Mass: 250.7273
• Monoisotopic Mass: 250.09852418
• SMILES: n12c(nc(c1)CN1CCNCC1)ccc(c2)Cl
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)CN1CCNCC1
• InChI: InChI=1S/C12H15ClN4/c13-10-1-2-12-15-11(9-17(12)7-10)8-16-5-3-14-4-6-16/h1-2,7,9,14H,3-6,8H2
• InChIKey: DRBMDERIBMPMQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({6-chloroimidazo[1,2-a]pyridin-2-yl}methyl)piperazine
• IUPAC Traditional name: 1-({6-chloroimidazo[1,2-a]pyridin-2-yl}methyl)piperazine
• Synonyms: 1-({6-chloroimidazo[1,2-a]pyridin-2-yl}methyl)piperazine

Database IDs

• MDL Number: MFCD11211654
• PubChem SID: 164321094
• PubChem CID: 43162392

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7847772
• LogD (pH = 7.4): -0.9688164
• Log P: 0.8505344
• Molar Refractivity: 69.5171 cm^3
• Polarizability: 26.688204 Å^3
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.862

Product Information

• Purity: 95%