≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Canonical Smiles | C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C#N |
|---|---|
| IUPAC Name | benzyl 3-cyanopiperidine-1-carboxylate |
| InChIKey | GTUBNUQWSDFBEE-UHFFFAOYSA-N |
| INCHI | 1S/C14H16N2O2/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2 |
| Isomeric SMILES | C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C#N |
| Alternate CAS | 885069-22-7 |
| PubChem CID | 44828669 |
| Molecular Weight | 244.29 |
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 | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Piperidinecarboxylic acids Carbamate esters Tertiary amines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Tertiary amine - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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 |
|---|---|---|---|
 I2502322 | Certificate of Analysis | Jun 17, 2025 | C732221 |
| I2502333 | Certificate of Analysis | Jun 17, 2025 | C732221 |
| I2502335 | Certificate of Analysis | Jun 17, 2025 | C732221 |
| I2502337 | Certificate of Analysis | Jun 17, 2025 | C732221 |
| Molecular Weight | 244.290 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 244.121 Da |
| Monoisotopic Mass | 244.121 Da |
| Topological Polar Surface Area | 53.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 328.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
