≥97% 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 | CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5 |
|---|---|
| IUPAC Name | N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine |
| InChIKey | GWMBPMUFLFJILW-BWKNWUBXSA-N |
| INCHI | 1S/C27H31N5O2S/c1-20-9-11-23(12-10-20)35(33,34)32-16-14-24-26(28-19-29-27(24)32)30(3)25-18-31(15-13-21(25)2)17-22-7-5-4-6-8-22/h4-12,14,16,19,21,25H,13,15,17-18H2,1-3H3/t21-,25+/m1/s1 |
| Isomeric SMILES | C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5 |
| PubChem CID | 15984680 |
| Molecular Weight | 489.6 |
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 | N-benzylpiperidines |
| Alternative Parents | Benzenesulfonamides Tosyl compounds Benzenesulfonyl compounds Pyrrolo[2,3-d]pyrimidines Benzylamines Dialkylarylamines Phenylmethylamines Aminopyrimidines and derivatives Aminopiperidines Aralkylamines Imidolactams Substituted pyrroles Heteroaromatic compounds Sulfonyls Organosulfonic acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzylpiperidine - Tosyl compound - Benzenesulfonamide - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - Benzenesulfonyl group - Phenylmethylamine - Dialkylarylamine - Benzylamine - Aralkylamine - Aminopyrimidine - Toluene - 3-aminopiperidine - Imidolactam - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Pyrrole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| External Descriptors | Not available |
| Molecular Weight | 489.600 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 489.22 Da |
| Monoisotopic Mass | 489.22 Da |
| Topological Polar Surface Area | 79.700 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 790.000 |
| 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 |
![N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7-tosyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine - ≥97% , CAS No.923036-30-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)