≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504772609 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772609 |
| Canonical Smiles | C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br.Cl |
| IUPAC Name | (3-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride |
| InChIKey | DPPMBBHOXQOMJI-UHFFFAOYSA-N |
| INCHI | 1S/C16H21BrN2O.ClH/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18;/h3-5,12,15H,1-2,6-11H2;1H |
| Isomeric SMILES | C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br.Cl |
| PubChem CID | 90488947 |
| Molecular Weight | 373.72 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzoylpiperidines |
| Alternative Parents | N-benzoylpiperidines 3-halobenzoic acids and derivatives Benzamides Aminopiperidines Bromobenzenes N-alkylpyrrolidines Aryl bromides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organobromides Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-benzoylpiperidine - N-benzoylpiperidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - 4-aminopiperidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2623044 | Certificate of Analysis | Apr 06, 2026 | U288519 |
| C2623042 | Certificate of Analysis | Apr 06, 2026 | U288519 |
| L2107081 | Certificate of Analysis | Sep 20, 2024 | U288519 |
| L2107109 | Certificate of Analysis | Sep 20, 2024 | U288519 |
| L2107110 | Certificate of Analysis | Sep 20, 2024 | U288519 |
| L2107111 | Certificate of Analysis | Sep 20, 2024 | U288519 |
| L2107138 | Certificate of Analysis | Sep 20, 2024 | U288519 |
| L2107139 | Certificate of Analysis | Sep 20, 2024 | U288519 |
| Solubility | Solvent:water, Max Conc. mg/mL: 37.37, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 37.37, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 373.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 372.06 Da |
| Monoisotopic Mass | 372.06 Da |
| Topological Polar Surface Area | 23.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 335.000 |
| 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 | 2 |
