Structure Information
Structure

Compound Identification

SMILES

Cl.CC1CCCCN1CC1=CC=CC=C1COC(=O)C1=CC(Br)=CC=C1

InChIKey

InChIKey=XXHRTVOKBXNFBJ-UHFFFAOYSA-N

Formula

C21H25BrClNO2

Mass

438.79

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Piperidines

Subclass

Benzylpiperidines

Intermediate Tree Nodes

Not available

Direct Parent

N-benzylpiperidines

Alternative Parents

3-halobenzoic acids and derivatives Benzoic acid esters Benzyloxycarbonyls Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Bromobenzenes Aryl bromides Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Organooxygen compounds Hydrochlorides Organic oxides Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-benzylpiperidine - Benzoate ester - Benzyloxycarbonyl - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrochloride - Aromatic heteromonocyclic 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

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