≥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 | CC(C)(C)OC(=O)N1CCC(C(C1)F)NCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | tert-butyl (3R,4R)-4-(benzylamino)-3-fluoropiperidine-1-carboxylate |
| InChIKey | JXBLMDWEOQDVAC-HUUCEWRRSA-N |
| INCHI | 1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-10-9-15(14(18)12-20)19-11-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14-,15-/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)F)NCC2=CC=CC=C2 |
| PubChem CID | 10852331 |
| Molecular Weight | 308.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines Aminopiperidines Carbamate esters Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - Benzylamine - Phenylmethylamine - 4-aminopiperidine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Alkyl fluoride - Amine - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 308.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 308.19 Da |
| Monoisotopic Mass | 308.19 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![rel-(3R,4R)-4-Benzylamino-1-[tert-butoxycarbonyl]-3-fluoropiperidine - ≥95% , CAS No.211108-52-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)