Compound Identification
SMILES
OCC1=CC(NC(=O)NC2=CC=CC(=C2)C#N)=C(CN2CCC(CC3=CC=CC=C3)CC2)C=C1
InChIKey
InChIKey=TZEFEFXQXXQTHI-UHFFFAOYSA-N
Formula
C28H30N4O2
Mass
454.574
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 4-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
4-benzylpiperidines
Alternative Parents
N-benzylpiperidines N-phenylureas Benzonitriles Benzyl alcohols Benzylamines Phenylmethylamines Aralkylamines Trialkylamines Ureas Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic oxides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylpiperidine - 4-benzylpiperidine - N-phenylurea - Benzonitrile - Benzyl alcohol - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Urea - Tertiary aliphatic amine - Tertiary amine - Carbonitrile - Azacycle - Nitrile - Amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Aromatic alcohol - 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