Compound Identification
SMILES
[O-][N+](=O)C1=C(Cl)C=C2NC[C@H](OC2=C1[N+]([O-])=O)C(=O)N1CCC(CC2=CC=C(F)C=C2)(CC1)C#N
InChIKey
InChIKey=VPHYAXFIDVZZHY-KRWDZBQOSA-N
Formula
C22H19ClFN5O6
Mass
503.87
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 4-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
4-benzylpiperidines
Alternative Parents
Beta amino acids and derivatives Benzomorpholines Benzoxazines N-acylpiperidines Nitroaromatic compounds Secondary alkylarylamines Alkyl aryl ethers Fluorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic salts Organic zwitterions Carbonyl compounds Organofluorides Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-benzylpiperidine - Beta amino acid or derivatives - Benzoxazine - Benzomorpholine - N-acyl-piperidine - Nitroaromatic compound - Fluorobenzene - Halobenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Oxazinane - Aryl fluoride - Tertiary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Amino acid or derivatives - Secondary amine - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Amine - Aromatic heteropolycyclic 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