≥90% 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 | CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OC)O |
|---|---|
| IUPAC Name | 1-[4-hydroxy-4-[(4-methoxyphenyl)sulfonylmethyl]piperidin-1-yl]-3-methylbutan-1-one |
| InChIKey | PPGRDPRUJDRTNB-UHFFFAOYSA-N |
| INCHI | 1S/C18H27NO5S/c1-14(2)12-17(20)19-10-8-18(21,9-11-19)13-25(22,23)16-6-4-15(24-3)5-7-16/h4-7,14,21H,8-13H2,1-3H3 |
| Isomeric SMILES | CC(C)CC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OC)O |
| PubChem CID | 1474753 |
| Molecular Weight | 369.48 |
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 | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | N-acylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-acylpiperidines |
| Alternative Parents | Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Tertiary alcohols Sulfones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonyl group - N-acyl-piperidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Sulfonyl - Sulfone - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine. |
| External Descriptors | Not available |
| Molecular Weight | 369.500 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 369.161 Da |
| Monoisotopic Mass | 369.161 Da |
| Topological Polar Surface Area | 92.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 538.000 |
| 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 |
![1-(4-Hydroxy-4-{[(4-methoxyphenyl)sulfonyl]methyl}piperidino)-3-methyl-1-butanone - ≥90% CAS No(865659-44-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/9/H945725.jpg)