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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Benzo[1,3]dioxol-5-yl-1-(4-methyl-piperidin-1-yl)-propenone , CAS No.290835-22-2
Synonyms
3-Benzo[1,3]dioxol-5-yl-1-(4-methyl-piperidin-1-yl)-propenone | 3-(Benzo[d][1,3]dioxol-5-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one | HMS1475K13 | BDBM50401984 | STL482922 | AKOS001426575 | IDI1_019903 | SR-01000404724 | SR-01000404724-1 | BRD-K2244053
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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
3-Benzo[1, 3]dioxol-5-yl-1-(4-methyl-piperidin-1-yl)-propenone | 3-(Benzo[d][1, 3]dioxol-5-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one | HMS1475K13 | BDBM50401984 | STL482922 | AKOS001426575 | IDI1_019903 | SR-01000404724 | SR-01000404724-1 | BRD-K2244053
Product Properties Names and Identifiers Canonical Smiles CC1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3 IUPAC Name (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one InChIKey BIXTXZXWPUQSJC-HWKANZROSA-N INCHI 1S/C16H19NO3/c1-12-6-8-17(9-7-12)16(18)5-3-13-2-4-14-15(10-13)20-11-19-14/h2-5,10,12H,6-9,11H2,1H3/b5-3+ Isomeric SMILES CC1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 Molecular Weight 273.33 Reaxy-Rn 25733415 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25733415&ln=
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.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzodioxoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzodioxoles Alternative Parents N-acylpiperidines Styrenes Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzodioxole - N-acyl-piperidine - Styrene - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. 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 273.330 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 273.136 Da Monoisotopic Mass 273.136 Da Topological Polar Surface Area 38.800 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 374.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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