Compound Identification
SMILES
COC1=CC(Br)=C(O)C(C(=O)NC2CCN(CC3=CC=CC=C3)CC2)=C1OC
InChIKey
InChIKey=HUAOWHVSGILVDD-UHFFFAOYSA-N
Formula
C21H25BrN2O4
Mass
449.345
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Piperidines
-
Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
-
Subclass
Benzylpiperidines
-
Class
Piperidines
-
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-halobenzoic acids and derivatives Salicylamides Dimethoxybenzenes Methoxyphenols 4-alkoxyphenols Benzamides Anisoles Benzoyl derivatives Benzylamines Phenylmethylamines Phenoxy compounds O-bromophenols Bromobenzenes Alkyl aryl ethers Aralkylamines Aryl bromides Vinylogous acids Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylpiperidine - Methoxyphenol - Salicylamide - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Halobenzoic acid or derivatives - 4-alkoxyphenol - Benzoic acid or derivatives - Benzamide - 2-bromophenol - Phenoxy compound - 2-halophenol - Phenol ether - Phenylmethylamine - Anisole - Benzylamine - Benzoyl - Methoxybenzene - Bromobenzene - Alkyl aryl ether - Phenol - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - 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