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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one , CAS No.D669014
Synonyms
PD 168568 | 1H-Isoindol-1-one, 3-[2-[4-(3,4-dimethylphenyl)-1-piperazinyl]ethyl]-2,3-dihydro- | 3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one | WQEPZBNLBWDIRZ-UHFFFAOYSA-N | BDBM50070517 | NCGC00370901-01 | HY-103407 | L0
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
PD 168568 | 1H-Isoindol-1-one, 3-[2-[4-(3, 4-dimethylphenyl)-1-piperazinyl]ethyl]-2, 3-dihydro- | 3-{2-[4-(3, 4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2, 3-dihydro-isoindol-1-one | WQEPZBNLBWDIRZ-UHFFFAOYSA-N | BDBM50070517 | NCGC00370901-01 | HY-103407 | L0
Product Properties Names and Identifiers Canonical Smiles CC1=C(C=C(C=C1)N2CCN(CC2)CCC3C4=CC=CC=C4C(=O)N3)C IUPAC Name 3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one InChIKey WQEPZBNLBWDIRZ-UHFFFAOYSA-N INCHI 1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26) Isomeric SMILES CC1=C(C=C(C=C1)N2CCN(CC2)CCC3C4=CC=CC=C4C(=O)N3)C PubChem CID 9819770 Molecular Weight 349.5
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent Phenylpiperazines Alternative Parents N-arylpiperazines Isoindolones Isoindoles o-Xylenes Aniline and substituted anilines Dialkylarylamines Aralkylamines N-alkylpiperazines Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpiperazine - N-arylpiperazine - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - O-xylene - Xylene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 349.500 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 349.215 Da Monoisotopic Mass 349.215 Da Topological Polar Surface Area 35.600 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 488.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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