for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC=C(C=C4)OC |
|---|---|
| IUPAC Name | 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-oxopropyl)purine-2,6-dione |
| InChIKey | OPNLXVUYBTXTLR-UHFFFAOYSA-N |
| INCHI | 1S/C21H26N6O4/c1-14(28)12-27-17(22-19-18(27)20(29)23-21(30)24(19)2)13-25-8-10-26(11-9-25)15-4-6-16(31-3)7-5-15/h4-7H,8-13H2,1-3H3,(H,23,29,30) |
| Molecular Weight | 426.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Xanthines 6-oxopurines Alkaloids and derivatives Aminophenyl ethers Methoxyanilines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones Aralkylamines N-alkylpiperazines N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ketones Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Aminophenyl ether - Purine - Alkaloid or derivatives - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - N-alkylpiperazine - Alkyl aryl ether - Aralkylamine - Pyrimidone - N-substituted imidazole - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Urea - Ketone - Tertiary aliphatic amine - Lactam - Tertiary amine - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 426.500 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 426.202 Da |
| Monoisotopic Mass | 426.202 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 689.000 |
| 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 |
