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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)N1CCCC(C1)OC2=NC=C(C=N2)Br |
|---|---|
| IUPAC Name | tert-butyl 3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carboxylate |
| InChIKey | GKKCIZYFXVJWRL-UHFFFAOYSA-N |
| INCHI | 1S/C14H20BrN3O3/c1-14(2,3)21-13(19)18-6-4-5-11(9-18)20-12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCCC(C1)OC2=NC=C(C=N2)Br |
| PubChem CID | 45036935 |
| Molecular Weight | 358.2 |
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 | Halopyrimidines Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - Alkyl aryl ether - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Ether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - 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 | 358.230 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 357.069 Da |
| Monoisotopic Mass | 357.069 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |