| CAS Number | 1211465-56-3 |
| Catalog Number | AG008VLK(AGN-PC-0WB6X1) |
| Chemical Name | 4-[(4-methyl-1H-pyrazol-1-yl)methyl]piperidine dihydrochloride |
| IUPAC Name | 4-[(4-methylpyrazol-1-yl)methyl]piperidine |
| InChI | InChI=1S/C10H17N3/c1-9-6-12-13(7-9)8-10-2-4-11-5-3-10/h6-7,10-11H,2-5,8H2,1H3 |
| InChI Key | PZPOBTXTOJZDGR-UHFFFAOYSA-N |
| MDL Number | MFCD15143200 |
| Molecular Formula | C10H19Cl2N3 |
| Molecular Weight | 252.1840 |
| SMILES | N1(CC2CCNCC2)C=C(C=N1)C.Cl.Cl |
| Synonyms | 4-[(4-methyl-1H-pyrazol-1-yl)methyl]piperidine,
1211465-56-3,
ALBB-013370,
MFCD15143200,
ZINC43497850,
AKOS005174205,
MCULE-6440669887,
AJ-108659,
EN300-71163,
Y-7573,
Z1266933957,
piperidine, 4-[(4-methyl-1H-pyrazol-1-yl)methyl]-, dihydrochloride,
4-[(4-METHYL-1H-PYRAZOL-1-YL)METHYL]PIPERIDINE DIHYDROCHLORIDE,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.267g/mol |
| Monoisotopic Mass | 179.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number