Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CN(CCC12C3=CN=C(C(=C3C(=O)O2)F)Cl)CC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 1'-benzyl-6-chloro-7-fluorospiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one |
| InChIKey | ASRXEBHNHZCNOT-UHFFFAOYSA-N |
| INCHI | 1S/C18H16ClFN2O2/c19-16-15(20)14-13(10-21-16)18(24-17(14)23)6-8-22(9-7-18)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2 |
| Molecular Weight | 346.8 |
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 | Pyridinecarboxylic acids Polyhalopyridines Phenylmethylamines Benzylamines 2-halopyridines Aralkylamines Aryl chlorides Aryl fluorides Vinylogous halides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organofluorides Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzylpiperidine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzylamine - Phenylmethylamine - Polyhalopyridine - 2-halopyridine - Aralkylamine - Benzenoid - Pyridine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic 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 |
| Molecular Weight | 346.800 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 346.088 Da |
| Monoisotopic Mass | 346.088 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 478.000 |
| 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 |