Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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=CN3)CC4=CC=CC=C4 |
|---|---|
| IUPAC Name | N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| InChIKey | UMWNXPTXDOVDFE-QAPCUYQASA-N |
| INCHI | 1S/C20H25N5/c1-15-9-11-25(12-16-6-4-3-5-7-16)13-18(15)24(2)20-17-8-10-21-19(17)22-14-23-20/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,21,22,23)/t15-,18+/m1/s1 |
| Isomeric SMILES | C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)CC4=CC=CC=C4 |
| PubChem CID | 49856703 |
| Molecular Weight | 335.4 |
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 | Pyrrolo[2,3-d]pyrimidines Phenylmethylamines Dialkylarylamines Benzylamines Aralkylamines Aminopyrimidines and derivatives Aminopiperidines Imidolactams Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzylpiperidine - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzylamine - Phenylmethylamine - Dialkylarylamine - Aralkylamine - Aminopyrimidine - 3-aminopiperidine - Imidolactam - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 22, 2025 | N733030 | |
| Certificate of Analysis | Jan 22, 2025 | N733030 | |
| Certificate of Analysis | Jan 22, 2025 | N733030 | |
| Certificate of Analysis | Jan 22, 2025 | N733030 | |
| Certificate of Analysis | Jan 22, 2025 | N733030 | |
| Certificate of Analysis | Jan 22, 2025 | N733030 | |
| Certificate of Analysis | Jan 22, 2025 | N733030 | |
| Certificate of Analysis | Jan 22, 2025 | N733030 |
| Molecular Weight | 335.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 335.211 Da |
| Monoisotopic Mass | 335.211 Da |
| Topological Polar Surface Area | 48.100 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 424.000 |
| 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 |