≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | 504771196 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771196 |
| Canonical Smiles | C1CCN(CC1)C2=C(C=C(C=C2)C=O)C#N |
| IUPAC Name | 5-formyl-2-piperidin-1-ylbenzonitrile |
| InChIKey | HJWIHIPVFJVJBS-UHFFFAOYSA-N |
| INCHI | 1S/C13H14N2O/c14-9-12-8-11(10-16)4-5-13(12)15-6-2-1-3-7-15/h4-5,8,10H,1-3,6-7H2 |
| Isomeric SMILES | C1CCN(CC1)C2=C(C=C(C=C2)C=O)C#N |
| Molecular Weight | 214.27 |
| Reaxy-Rn | 35416227 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35416227&ln= |
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 | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Dialkylarylamines Benzoyl derivatives Benzonitriles Benzaldehydes Aniline and substituted anilines Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - Benzaldehyde - Benzonitrile - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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 |
|---|---|---|---|
 K2301349 | Certificate of Analysis | Oct 21, 2023 | F586889 |
| K2301350 | Certificate of Analysis | Oct 21, 2023 | F586889 |
| K2301351 | Certificate of Analysis | Oct 21, 2023 | F586889 |
| K2301352 | Certificate of Analysis | Oct 21, 2023 | F586889 |
| K2301353 | Certificate of Analysis | Oct 21, 2023 | F586889 |
| K2301354 | Certificate of Analysis | Oct 21, 2023 | F586889 |
| Molecular Weight | 214.260 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 214.111 Da |
| Monoisotopic Mass | 214.111 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 288.000 |
| 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 |
