| CAS Number | 1803604-33-2 |
| Catalog Number | AG01B18L |
| Chemical Name | 1-(3,5-Dimethylbenzoyl)piperazine hydrochloride |
| IUPAC Name | (3,5-dimethylphenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C13H18N2O.ClH/c1-10-7-11(2)9-12(8-10)13(16)15-5-3-14-4-6-15;/h7-9,14H,3-6H2,1-2H3;1H |
| InChI Key | TUXQTZQKTGPSPC-UHFFFAOYSA-N |
| MDL Number | MFCD28012173 |
| Molecular Formula | C13H19ClN2O |
| Molecular Weight | 254.7558 |
| SMILES | Cl.CC1=CC(C(N2CCNCC2)=O)=CC(C)=C1 |
| Synonyms | 1-(3,5-dimethylbenzoyl)piperazine hydrochloride,
1803604-33-2,
MFCD28012173,
AKOS025657494,
NE51410,
(3,5-Dimethylphenyl)(piperazin-1-yl)methanone (HCl),
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.758g/mol |
| Monoisotopic Mass | 254.119g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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