≥95% 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 | CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=N2)Br)C(=O)OC |
|---|---|
| IUPAC Name | tert-butyl 4-(5-bromo-3-methoxycarbonylpyridin-2-yl)piperazine-1-carboxylate |
| InChIKey | YOCDALHJYLXODI-UHFFFAOYSA-N |
| INCHI | 1S/C16H22BrN3O4/c1-16(2,3)24-15(22)20-7-5-19(6-8-20)13-12(14(21)23-4)9-11(17)10-18-13/h9-10H,5-8H2,1-4H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=N2)Br)C(=O)OC |
| PubChem CID | 28405910 |
| Molecular Weight | 400.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 Pyridinecarboxylic acids Piperazine carboxylic acids Dialkylarylamines Aminopyridines and derivatives Aryl bromides Imidolactams Vinylogous amides Methyl esters Heteroaromatic compounds Carbamate esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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 |
| Melt Point(°C) | 122-124° |
|---|---|
| Molecular Weight | 400.270 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 399.079 Da |
| Monoisotopic Mass | 399.079 Da |
| Topological Polar Surface Area | 72.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 461.000 |
| 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 |
