≥98% 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 | CC1=C(N=C(C=C1)CNCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F)NC |
|---|---|
| IUPAC Name | (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-methyl-6-(methylamino)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone |
| InChIKey | QILKJZOYDVAGPZ-UHFFFAOYSA-N |
| INCHI | 1S/C21H25ClF2N4O/c1-14-3-5-16(27-19(14)25-2)12-26-13-21(24)7-9-28(10-8-21)20(29)15-4-6-18(23)17(22)11-15/h3-6,11,26H,7-10,12-13H2,1-2H3,(H,25,27) |
| Molecular Weight | 422.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives 6-substituted-2-pyridinylmethylamines Benzamides Aminopyridines and derivatives Aralkylamines Chlorobenzenes Fluorobenzenes Methylpyridines Aryl fluorides Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Alkyl fluorides Organofluorides Organochlorides Organooxygen compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzoylpiperidine - 1-benzoylpiperidine - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 6-substituted-2-pyridinylmethylamine - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - 2-pyridylmethylamine - Aminopyridine - Halobenzene - Fluorobenzene - Chlorobenzene - Methylpyridine - Aralkylamine - Aryl chloride - Aryl fluoride - Piperidine - Aryl halide - Imidolactam - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Amine - Alkyl halide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - 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 | 422.900 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 422.168 Da |
| Monoisotopic Mass | 422.168 Da |
| Topological Polar Surface Area | 57.300 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 547.000 |
| 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 |
