| CAS Number | 1211498-15-5 |
| Catalog Number | AG01ABCA |
| Chemical Name | 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine |
| IUPAC Name | 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine |
| InChI | InChI=1S/C11H19N3/c1-9-7-10(2)14(13-9)8-11-3-5-12-6-4-11/h7,11-12H,3-6,8H2,1-2H3 |
| InChI Key | PUYJMVKFIFCPIB-UHFFFAOYSA-N |
| MDL Number | MFCD15202322 |
| Molecular Formula | C11H19N3 |
| Molecular Weight | 193.2887 |
| SMILES | CC1=NN(CC2CCNCC2)C(C)=C1 |
| Synonyms | 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine,
1211498-15-5,
4-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)piperidine,
ZINC43497802,
AKOS010953343,
MCULE-6535423839,
F8889-1782,
4-(3,5-Dimethyl-pyrazol-1-ylmethyl)-piperidine,
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine dihydrochloride,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.294g/mol |
| Monoisotopic Mass | 193.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number