Compound Identification
SMILES
OC(=O)C(F)(F)F.O=C1NC2=CC=CC=C2N1C1CCN(CC2=CC=C(C=C2)C2=C(N=NC(=N2)C2=NC=CN2)C2=CC=CC=C2)CC1
InChIKey
InChIKey=NKNXFDACCSQANX-UHFFFAOYSA-N
Formula
C33H29F3N8O3
Mass
642.643
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Benzimidazoles Phenylmethylamines Benzylamines Aralkylamines 1,2,4-triazines N-substituted imidazoles Alpha-halocarboxylic acids Heteroaromatic compounds Ureas Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Alkyl fluorides Organofluorides Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
N-benzylpiperidine - Benzimidazole - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - N-substituted imidazole - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organofluoride - Carbonyl group - Alkyl fluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available