| CAS Number | 690262-00-1 |
| Catalog Number | AG00IBWD(AGN-PC-0TUB6M) |
| Chemical Name | Piperidine, 4-(1H-pyrazol-3-yl)-, dihydrochloride |
| IUPAC Name | 4-(1H-pyrazol-5-yl)piperidine;dihydrochloride |
| InChI | InChI=1S/C8H13N3.2ClH/c1-4-9-5-2-7(1)8-3-6-10-11-8;;/h3,6-7,9H,1-2,4-5H2,(H,10,11);2*1H |
| InChI Key | FKAZGXYODMJIAZ-UHFFFAOYSA-N |
| MDL Number | MFCD22666488 |
| Molecular Formula | C8H15Cl2N3 |
| Molecular Weight | 224.1308 |
| SMILES | C1(C2=NNC=C2)CCNCC1.Cl.Cl |
| Synonyms | 690262-00-1,
4-(1H-Pyrazol-3-yl)piperidine dihydrochloride,
4-(2H-Pyrazol-3-yl)-piperidine dihydrochloride,
CTK7D1451,
AKOS015845598,
AKOS027254851,
4-(1H-Pyrazol-3-yl)piperidine 2HCl,
TR-061668,
4-(2H-pyrazol-3-yl)piperidine dihydrochloride,
4-(2H-Pyrazol-3-yl)-piperidine di hydrochloride,
piperidine, 4-(1h-pyrazol-3-yl)-, hydrochloride (1:2),
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.129g/mol |
| Monoisotopic Mass | 223.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number