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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCCC(C3)C(=O)OCC |
|---|---|
| IUPAC Name | ethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate |
| InChIKey | NLVFARDMEGKIKR-UHFFFAOYSA-N |
| INCHI | 1S/C21H30BNO5/c1-6-26-19(25)16-10-8-12-23(14-16)18(24)15-9-7-11-17(13-15)22-27-20(2,3)21(4,5)28-22/h7,9,11,13,16H,6,8,10,12,14H2,1-5H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCCC(C3)C(=O)OCC |
| PubChem CID | 46739036 |
| Molecular Weight | 387.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzoylpiperidines |
| Alternative Parents | N-benzoylpiperidines Piperidinecarboxylic acids Benzamides Tertiary carboxylic acid amides Dioxaborolanes Boronic acid esters Tertiary amines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organometalloid compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-benzoylpiperidine - N-benzoylpiperidine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Piperidinecarboxylic acid - Piperidine - 1,3,2-dioxaborolane - Tertiary carboxylic acid amide - Boronic acid ester - Amino acid or derivatives - Boronic acid derivative - Carboxylic acid ester - Tertiary amine - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Amine - Organic metalloid moeity - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group. |
| External Descriptors | Not available |
| Molecular Weight | 387.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 387.222 Da |
| Monoisotopic Mass | 387.222 Da |
| Topological Polar Surface Area | 65.099 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 577.000 |
| 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 |