≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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)(CC2=CC=CC=C2)C(=O)O |
|---|---|
| IUPAC Name | 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
| InChIKey | APIIIPKQPKSIHU-UHFFFAOYSA-N |
| INCHI | 1S/C18H25NO4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19,15(20)21)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,21) |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC=CC=C2)C(=O)O |
| CAS alternativo | 170838-87-6 |
| Peso molecular | 319.40 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-benzylpiperidines |
| Alternative Parents | Phenylpropanoic acids Piperidinecarboxylic acids Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-benzylpiperidine - 3-phenylpropanoic-acid - Piperidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine. |
| External Descriptors | Not available |
| Peso molecular | 319.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 319.178 Da |
| Monoisotopic Mass | 319.178 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 427.000 |
| 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 |
A2606239