Compound Identification
SMILES
COC(=O)C1CCNC(C1)C1=CN=C(C=C1)C(F)(F)F
InChIKey
InChIKey=CBDDXGADJJUKLT-UHFFFAOYSA-N
Formula
C13H15F3N2O2
Mass
288.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Alkaloids and derivatives
Alternative Parents
Piperidinecarboxylic acids Aralkylamines Pyridines and derivatives Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Alkaloid or derivatives - Aralkylamine - Piperidine - Pyridine - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Alkyl fluoride - Organic oxide - Alkyl halide - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
External Descriptors
Not available