Compound Identification
SMILES
OC(=O)C(F)(F)F.CN1CC(C1)N1CCN(CC1)C1=NC2=NC(C3=CC=C(CN4CCC(CC4)C4=NC(=NN4)C4=CC=CC=N4)C=C3)=C(C=C2C=N1)C1=CC=CC=C1
InChIKey
InChIKey=KCWYCVLMJSDEEY-UHFFFAOYSA-N
Formula
C42H44F3N11O2
Mass
791.884
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
N-arylpiperazines Phenylpyridines Pyridyl-1,2,4-triazoles Pyrido[2,3-d]pyrimidines Benzylamines Phenylmethylamines Dialkylarylamines Aminopyrimidines and derivatives N-alkylpiperazines Aralkylamines Alpha-halocarboxylic acids Heteroaromatic compounds Triazoles Azetidines Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
N-benzylpiperidine - 2-phenylpyridine - 3-phenylpyridine - N-arylpiperazine - Pyridyltriazole - Pyridyl-1,2,4-triazole - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Benzylamine - Phenylmethylamine - Dialkylarylamine - Aminopyrimidine - Aralkylamine - N-alkylpiperazine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Pyridine - Alpha-halocarboxylic acid - 1,2,4-triazole - Alpha-halocarboxylic acid or derivatives - Azole - Triazole - Heteroaromatic compound - Tertiary amine - Azetidine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Organohalogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Organofluoride - 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