≥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.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCC(CC1)CSC2=CC=CC(=C2)F |
|---|---|
| IUPAC Name | tert-butyl 4-[(3-fluorophenyl)sulfanylmethyl]piperidine-1-carboxylate |
| InChIKey | GQIDKVGDAFCLEA-UHFFFAOYSA-N |
| INCHI | 1S/C17H24FNO2S/c1-17(2,3)21-16(20)19-9-7-13(8-10-19)12-22-15-6-4-5-14(18)11-15/h4-6,11,13H,7-10,12H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCC(CC1)CSC2=CC=CC(=C2)F |
| PubChem CID | 66570222 |
| Peso molecular | 325.44 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | Thiophenol ethers Fluorobenzenes Alkylarylthioethers Aryl fluorides Carbamate esters Tertiary amines Sulfenyl compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - Aryl thioether - Thiophenol ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Tertiary amine - Sulfenyl compound - Azacycle - Thioether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 325.400 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 325.151 Da |
| Monoisotopic Mass | 325.151 Da |
| Topological Polar Surface Area | 54.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| 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 |
