| CAS Number | 1609402-74-5 |
| Catalog Number | AG00J1T3(AGN-PC-0WB7C9) |
| Chemical Name | 2-(1-methyl-1H-pyrazol-5-yl)piperidine dihydrochloride |
| IUPAC Name | 2-(2-methylpyrazol-3-yl)piperidine;dihydrochloride |
| InChI | InChI=1S/C9H15N3.2ClH/c1-12-9(5-7-11-12)8-4-2-3-6-10-8;;/h5,7-8,10H,2-4,6H2,1H3;2*1H |
| InChI Key | AVZTWGSUXMQXON-UHFFFAOYSA-N |
| MDL Number | MFCD28024671 |
| Molecular Formula | C9H17Cl2N3 |
| Molecular Weight | 238.1574 |
| SMILES | C1(C2CCCCN2)=CC=NN1C.Cl.Cl |
| Synonyms | 1609402-74-5,
2-(1-methyl-1H-pyrazol-5-yl)piperidine dihydrochloride,
MFCD28024671,
AKOS026726155,
Z1981870440,
2-(2-methylpyrazol-3-yl)piperidine;dihydrochloride,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.156g/mol |
| Monoisotopic Mass | 237.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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