4-(4-Iodo-1H-pyrazol-1-yl)piperidine

Base Information

• Chemical Name: 4-(4-Iodo-1H-pyrazol-1-yl)piperidine
• CAS No.: 1229457-94-6
• Molecular Formula: C8H12IN3
• Molecular Weight: 277.10545
• European Community (EC) Number: 639-824-6
• DSSTox Substance ID: DTXSID50893742
• Nikkaji Number: J3.047.691C
• Wikidata: Q81987761
• ChEMBL ID: CHEMBL4582543
• Mol file: 1229457-94-6.mol

Synonyms:4-(4-Iodo-1H-pyrazol-1-yl)piperidine;1229457-94-6;4-(4-iodopyrazol-1-yl)piperidine;MFCD16622252;4-(4-Iod-1H-pyrazol-1-yl)-piperidine;EC 639-824-6;4-(4-Iodo-1-pyrazolyl)piperidine;4-(4-iodo-pyrazol-1-yl)piperidine;CHEMBL4582543;SCHEMBL15557166;AMY5048;DTXSID50893742;AKOS013751441;1-(4-Piperidinyl)-4-iodo-1H-pyrazole;BS-41723;SY123306;CS-0038566;FT-0721882;EN300-118521;W11562;F2167-2824;4-(4-Iod-1H-pyrazol-1-yl)-piperidine, 4-(4-Iodo-1H-pyrazol-1-yl)piperidine

Chemical Property of 4-(4-Iodo-1H-pyrazol-1-yl)piperidine

Chemical Property:

• Boiling Point: 353.5±32.0 °C(Predicted)
• PKA: 9.77±0.10(Predicted)
• PSA: 29.85000
• Density: 1.95±0.1 g/cm3(Predicted)
• LogP: 1.74100
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 277.00759
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99.9% ^*data from raw suppliers

4-(4-Iodo-1H-pyrazol-1-yl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1N2C=C(C=N2)I