≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NC3=CC4=C(C=C3)OCO4 |
|---|---|
| IUPAC Name | N-(1,3-benzodioxol-5-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide |
| InChIKey | YNOQMJNEVAIWTB-UHFFFAOYSA-N |
| INCHI | 1S/C18H16ClF3N4O3/c19-13-7-11(18(20,21)22)9-23-16(13)25-3-5-26(6-4-25)17(27)24-12-1-2-14-15(8-12)29-10-28-14/h1-2,7-9H,3-6,10H2,(H,24,27) |
| Isomeric SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NC3=CC4=C(C=C3)OCO4 |
| PubChem CID | 1485502 |
| Molecular Weight | 428.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Piperazine carboxamides Benzodioxoles Dialkylarylamines Aminopyridines and derivatives Aryl chlorides Imidolactams Benzenoids Heteroaromatic compounds Ureas Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Benzodioxole - Piperazine-1-carboxamide - Dialkylarylamine - Aminopyridine - Imidolactam - Benzenoid - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Urea - Carbonic acid derivative - Oxacycle - Azacycle - Acetal - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Molecular Weight | 428.800 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 428.086 Da |
| Monoisotopic Mass | 428.086 Da |
| Topological Polar Surface Area | 66.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 591.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![N-(1,3-benzodioxol-5-yl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-1(2H)-pyrazinecarboxamide - ≥90% , CAS No.866131-92-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)