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≥90% 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 | C1CN(CCC1(CN2CCOCC2)O)C(=O)C3=CC(=C(C=C3)Cl)Cl |
|---|---|
| IUPAC Name | (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone |
| InChIKey | ZJOKVRKPNFMKBE-UHFFFAOYSA-N |
| INCHI | 1S/C17H22Cl2N2O3/c18-14-2-1-13(11-15(14)19)16(22)21-5-3-17(23,4-6-21)12-20-7-9-24-10-8-20/h1-2,11,23H,3-10,12H2 |
| Isomeric SMILES | C1CN(CCC1(CN2CCOCC2)O)C(=O)C3=CC(=C(C=C3)Cl)Cl |
| PubChem CID | 1489053 |
| Molecular Weight | 373.28 |
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 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Dichlorobenzenes Morpholines Aryl chlorides Tertiary carboxylic acid amides Tertiary alcohols Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzoylpiperidine - 1-benzoylpiperidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Morpholine - Aryl chloride - Aryl halide - Oxazinane - Piperidine - Tertiary alcohol - Tertiary carboxylic acid amide - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen 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 | 373.300 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 372.101 Da |
| Monoisotopic Mass | 372.101 Da |
| Topological Polar Surface Area | 53.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 438.000 |
| 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 |