tert-butyl (3R,5S)-3-amino-5-(trifluoromethyl)piperidine-1-carboxylate - ≥97% , CAS No.2166275-79-0

CAS: 2166275-79-0 Cat. No.: T631865 Molecular Weight: 268.28 PubChem CID: 118989055

GRADE & PURITY ≥97%

Synonyms

(3r,5s)-el-1-iperidinecarboxylic acid, 3-mino-5-(trifluoromethyl)-, 1,1-imethylethyl ester | 1-Piperidinecarboxylic acid, 3-amino-5-(trifluoromethyl)-, 1,1-dimethylethyl ester, (3R,5S)-rel- | (3R,5S)-1-Boc-3-amino-5-(trifluoromethyl)piperidine | (3R,5s)-r

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(3r, 5s)-el-1-iperidinecarboxylic acid, 3-mino-5-(trifluoromethyl)-, 1, 1-imethylethyl ester | 1-Piperidinecarboxylic acid, 3-amino-5-(trifluoromethyl)-, 1, 1-dimethylethyl ester, (3R, 5S)-rel- | (3R, 5S)-1-Boc-3-amino-5-(trifluoromethyl)piperidine | (3R, 5s)-r

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC(CC(C1)N)C(F)(F)F
• IUPAC Name: tert-butyl (3R,5S)-3-amino-5-(trifluoromethyl)piperidine-1-carboxylate
• InChIKey: MTUOZRYHCWOEFS-JGVFFNPUSA-N
• INCHI: 1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-7(11(12,13)14)4-8(15)6-16/h7-8H,4-6,15H2,1-3H3/t7-,8+/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H](C1)N)C(F)(F)F
• Alternate CAS: 1392473-89-0
• PubChem CID: 118989055
• Molecular Weight: 268.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Aliphatic 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y