≥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)C1(CCCNC1)CC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O |
|---|---|
| IUPAC Name | ethyl 3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate;oxalic acid |
| InChIKey | HVFQVUNEAYXNGP-UHFFFAOYSA-N |
| INCHI | 1S/C16H20F3NO2.C2H2O4/c1-2-22-14(21)15(8-3-9-20-11-15)10-12-4-6-13(7-5-12)16(17,18)19;3-1(4)2(5)6/h4-7,20H,2-3,8-11H2,1H3;(H,3,4)(H,5,6) |
| Isomeric SMILES | CCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O |
| PubChem CID | 17998833 |
| Molecular Weight | 405.36 |
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 | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-benzylpiperidines |
| Alternative Parents | Trifluoromethylbenzenes Piperidinecarboxylic acids Fatty acid esters Aralkylamines Dicarboxylic acids and derivatives Carboxylic acid esters Amino acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | 3-benzylpiperidine - Trifluoromethylbenzene - Piperidinecarboxylic acid - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 3-position of a piperidine. |
| External Descriptors | Not available |
| Molecular Weight | 405.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 405.14 Da |
| Monoisotopic Mass | 405.14 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 450.000 |
| 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 | 2 |
