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 | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC |
|---|---|
| IUPAC Name | 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione |
| InChIKey | WILVAFPPCXBQGR-UHFFFAOYSA-N |
| INCHI | 1S/C19H24N6O3/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)12-24-8-10-25(11-9-24)13-4-6-14(28-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,20,21) |
| Molecular Weight | 384.4 |
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 | 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 Imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Purine - Aminophenyl ether - Imidazopyrimidine - Methoxyaniline - Alkaloid or derivatives - Phenoxy compound - Tertiary aliphatic/aromatic amine - Anisole - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - N-alkylpiperazine - Aralkylamine - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organopnictogen compound - 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 | 384.400 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 384.191 Da |
| Monoisotopic Mass | 384.191 Da |
| Topological Polar Surface Area | 85.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 588.000 |
| 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 |
