≥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=CC(=N2)C3CC3)C#N |
|---|---|
| IUPAC Name | tert-butyl 4-(3-cyano-6-cyclopropylpyridin-2-yl)piperazine-1-carboxylate |
| InChIKey | KXHIRDUGFMXLKB-UHFFFAOYSA-N |
| INCHI | 1S/C18H24N4O2/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-14(12-19)6-7-15(20-16)13-4-5-13/h6-7,13H,4-5,8-11H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3CC3)C#N |
| PubChem CID | 36995610 |
| Molecular Weight | 328.42 |
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 carboxylic acids Dialkylarylamines 3-pyridinecarbonitriles Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Carbamate esters Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Dialkylarylamine - 3-pyridinecarbonitrile - Aminopyridine - Pyridine - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Amine - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen 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 |
| Molecular Weight | 328.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 328.19 Da |
| Monoisotopic Mass | 328.19 Da |
| Topological Polar Surface Area | 69.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 509.000 |
| 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 |
