2-(4-Methyl-piperazin-1-yl)-isonicotinic acid

Base Information

• Chemical Name: 2-(4-Methyl-piperazin-1-yl)-isonicotinic acid
• CAS No.: 876717-56-5
• Molecular Formula: C11H15N3O2
• Molecular Weight: 221.25600
• Hs Code.: 2933599090
• European Community (EC) Number: 864-324-1
• DSSTox Substance ID: DTXSID10424435
• Wikidata: Q82237012
• Mol file: 876717-56-5.mol

Synonyms:2-(4-Methyl-piperazin-1-yl)-isonicotinic acid;876717-56-5;2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;2-(4-methylpiperazin-1-yl)isonicotinic acid;SCHEMBL20951481;DTXSID10424435;MFCD07801144;STK503449;AKOS000213892;TS-00511;CS-0257066;2-(4-Methyl-piperazin-1-yl)-isonicotinicacid;EN300-65981;2-(4-METHYL-1-PIPERAZINYL)ISONICOTINIC ACID;4-pyridinecarboxylic acid,2-(4-methyl-1-piperazinyl)-;Z227822880

Chemical Property of 2-(4-Methyl-piperazin-1-yl)-isonicotinic acid

Chemical Property:

• PSA: 56.67000
• LogP: 0.53450
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 221.116426730
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Methylpiperazin-1-yl)isonicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC=CC(=C2)C(=O)O
• Uses: 2-(4-methylpiperazin-1-yl)isonicotinic Acid is a useful intermediate used in the preparation of N-cyanomethyl amide compounds/derivatives as protease inhibitors for the treatment of osteoporosis.