| CAS Number | 1351499-82-5 |
| Catalog Number | AG01E8T6(AGN-PC-0WC8OD) |
| Chemical Name | 4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride |
| IUPAC Name | 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride |
| InChI | InChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(14-15-7)5-1-3-12-4-2-5;/h5,12H,1-4H2;1H |
| InChI Key | RKBFITVLOJEHQZ-UHFFFAOYSA-N |
| MDL Number | MFCD21606213 |
| Molecular Formula | C8H11ClF3N3O |
| Molecular Weight | 257.6406 |
| SMILES | Cl.FC(C1ON=C(C2CCNCC2)N=1)(F)F |
| Synonyms | 1351499-82-5,
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride,
4-(5-Trifluoromethyl-[1,2,4]oxadiazol-3-yl)-piperidine hydrochloride,
3-(Piperidin-4-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole hydrochloride,
CHEMBL3497610,
KS-7485,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.641g/mol |
| Monoisotopic Mass | 257.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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