≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1CN(CCN1C(=O)OC(C)(C)C)C2=NC=C(C=C2)C(=O)O |
|---|---|
| IUPAC Name | 6-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid |
| InChIKey | OLQYDWGOSNEFKE-UHFFFAOYSA-N |
| INCHI | 1S/C16H23N3O4/c1-11-10-18(13-6-5-12(9-17-13)14(20)21)7-8-19(11)15(22)23-16(2,3)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21) |
| Molecular Weight | 321.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Imidolactams Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - 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 |
| Molecular Weight | 321.370 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 321.169 Da |
| Monoisotopic Mass | 321.169 Da |
| Topological Polar Surface Area | 83.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 449.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![6-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid - ≥95% , CAS No.904817-70-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)