Compound Identification
SMILES
CCOCCN1C=C(C2CCN(CC3=C(C=CC=C3F)C(O)=O)CC2)C2=C1C(Br)=CC=C2
InChIKey
InChIKey=SOJYLIUJQLHMKC-UHFFFAOYSA-N
Formula
C25H28BrFN2O3
Mass
503.412
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
3-alkylindoles 3-halobenzoic acids N-alkylindoles Halobenzoic acids Benzoic acids Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Fluorobenzenes Substituted pyrroles Aryl bromides Aryl fluorides Heteroaromatic compounds Amino acids Trialkylamines Azacyclic compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzylpiperidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-alkylindole - 3-halobenzoic acid - Halobenzoic acid - 3-alkylindole - Indole - Indole or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzylamine - Benzoyl - Phenylmethylamine - Aralkylamine - Fluorobenzene - Halobenzene - Substituted pyrrole - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen 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