≥98%(HPLC) 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 | 504771525 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771525 |
| Canonical Smiles | CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC(=C(C=C4)F)F.Cl |
| IUPAC Name | N-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;hydrochloride |
| InChIKey | DEDUDFNRQKUBRH-UHFFFAOYSA-N |
| INCHI | 1S/C29H32F2N2O2.ClH/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25;/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34);1H |
| Isomeric SMILES | CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC(=C(C=C4)F)F.Cl |
| PubChem CID | 56972235 |
| Molecular Weight | 515.03 |
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 | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-benzylpiperidines |
| Alternative Parents | Diphenylethers Phenylpiperidines Diarylethers Anilides Benzylamines N-arylamides Phenol ethers Phenoxy compounds Phenylmethylamines Fluorobenzenes Toluenes Aralkylamines Aryl fluorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzylpiperidine - Diphenylether - Phenylpiperidine - Diaryl ether - Anilide - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - N-arylamide - Fluorobenzene - Halobenzene - Toluene - Aralkylamine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Hydrochloride - Amine - Organic oxygen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| 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 |
|---|---|---|---|
 L2406058 | Certificate of Analysis | Dec 12, 2024 | S287629 |
| J2120013 | Certificate of Analysis | Aug 09, 2024 | S287629 |
| J2120014 | Certificate of Analysis | Aug 09, 2024 | S287629 |
| J2120015 | Certificate of Analysis | Aug 09, 2024 | S287629 |
| J2120016 | Certificate of Analysis | Aug 09, 2024 | S287629 |
| J2120017 | Certificate of Analysis | Aug 09, 2024 | S287629 |
| J2120018 | Certificate of Analysis | Aug 09, 2024 | S287629 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 51.5, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 51.5, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 515.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 514.22 Da |
| Monoisotopic Mass | 514.22 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 661.000 |
| 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 |
