Structure Information
Structure

Compound Identification

SMILES

O[C@@H](COCCOC1=CC=C(Br)C=C1)C[NH+]1CCN(CC1)C1=CC=C(F)C=C1

InChIKey

InChIKey=SHIQYQVHPFKGLA-HXUWFJFHSA-O

Formula

C21H27BrFN2O3

Mass

454.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpiperazines

Alternative Parents

N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Phenol ethers Phenoxy compounds Alkyl aryl ethers N-alkylpiperazines Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Quaternary ammonium salts 1,2-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Dialkyl ethers Organofluorides Hydrocarbon derivatives Organobromides Organic cations

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylpiperazine - N-arylpiperazine - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - N-alkylpiperazine - Benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Secondary alcohol - 1,2-aminoalcohol - Ether - Dialkyl ether - Azacycle - Organohalogen compound - Amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.

External Descriptors

Not available

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