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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCCC(C1)OCC2=CN=C(S2)Cl |
|---|---|
| IUPAC Name | tert-butyl 3-[(2-chloro-1,3-thiazol-5-yl)methoxy]piperidine-1-carboxylate |
| InChIKey | FKHYBMVFSZZFMW-UHFFFAOYSA-N |
| INCHI | 1S/C14H21ClN2O3S/c1-14(2,3)20-13(18)17-6-4-5-10(8-17)19-9-11-7-16-12(15)21-11/h7,10H,4-6,8-9H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCCC(C1)OCC2=CN=C(S2)Cl |
| PubChem CID | 45787155 |
| Molecular Weight | 332.84 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | 2,5-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Carbamate esters Tertiary amines Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - 2,5-disubstituted 1,3-thiazole - Aryl chloride - Aryl halide - Azole - Thiazole - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Ether - Dialkyl ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 332.800 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 332.096 Da |
| Monoisotopic Mass | 332.096 Da |
| Topological Polar Surface Area | 79.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |