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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 | CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)N4CCCCC4)C |
|---|---|
| IUPAC Name | 5,6-dimethyl-2-(4-piperidin-1-ylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| InChIKey | YVMKBJWHBSKBQW-UHFFFAOYSA-N |
| INCHI | 1S/C21H26N2O2/c1-14-12-18-19(13-15(14)2)21(25)23(20(18)24)17-8-6-16(7-9-17)22-10-4-3-5-11-22/h6-9,18-19H,3-5,10-13H2,1-2H3 |
| Molecular Weight | 338.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Phenylpyrrolidines Isoindolones Isoindoles Aniline and substituted anilines Dialkylarylamines N-substituted carboxylic acid imides Pyrrolidine-2-ones Pyrroles Dicarboximides Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperidine - 1-phenylpyrrolidine - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Pyrrole - Lactam - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 338.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 338.199 Da |
| Monoisotopic Mass | 338.199 Da |
| Topological Polar Surface Area | 40.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 551.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
