≥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 | CCOC(=O)C1C(CC(=O)N(C1=O)C)C2=CC=C(C=C2)F |
|---|---|
| IUPAC Name | ethyl (3R,4S)-4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate |
| InChIKey | VLLPYAIUEKEIRQ-DGCLKSJQSA-N |
| INCHI | 1S/C15H16FNO4/c1-3-21-15(20)13-11(8-12(18)17(2)14(13)19)9-4-6-10(16)7-5-9/h4-7,11,13H,3,8H2,1-2H3/t11-,13-/m1/s1 |
| Isomeric SMILES | CCOC(=O)[C@@H]1[C@H](CC(=O)N(C1=O)C)C2=CC=C(C=C2)F |
| Alternate CAS | 109887-52-7 |
| PubChem CID | 18637871 |
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 | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Piperidinecarboxylic acids Piperidinediones Delta lactams Fluorobenzenes 1,3-dicarbonyl compounds Aryl fluorides N-substituted carboxylic acid imides Dicarboximides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - Piperidinecarboxylic acid - Piperidinedione - Delta-lactam - Fluorobenzene - Halobenzene - Piperidinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Lactam - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 293.290 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 293.106 Da |
| Monoisotopic Mass | 293.106 Da |
| Topological Polar Surface Area | 63.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 431.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
