Compound Identification
SMILES
FC1=CC=C(C=C1)N1CCN(CC1)C1=[NH+]C=C(C=C1)C(=O)OCC(F)(F)F
InChIKey
InChIKey=LFVKJCRRZFZKLF-UHFFFAOYSA-O
Formula
C18H18F4N3O2
Mass
384.354
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
- Level 5 Pyridinylpiperazines
-
Subclass
Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
Phenylpiperazines N-arylpiperazines Pyridinecarboxylic acids Aniline and substituted anilines Dialkylarylamines Aminopyridines and derivatives Fluorobenzenes Pyridinium derivatives Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - Pyridinylpiperazine - N-arylpiperazine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors
Not available