Compound Identification
SMILES
ClC1=NC(SCC2=CC=C(C=C2)C(=O)NCCC(C2=CC=CC=C2)C2=CC=CC=C2)=NC(=C1)N1CCC(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=PGHSDYZZYHCEBM-UHFFFAOYSA-N
Formula
C39H39ClN4OS
Mass
647.28
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 4-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
4-benzylpiperidines
Alternative Parents
Diphenylmethanes Benzamides Benzoyl derivatives Dialkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organochlorides Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diphenylmethane - 4-benzylpiperidine - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
External Descriptors
Not available