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1-[N-(2-nitrophenyl)-2-aminoethyl]-4-(2-methoxyphenyl)piperazine

HCID 22482089
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1N1CCN(CCNc2ccccc2[N+](=O)[O-])CC1
InChIKey
AIFSUCVFHQOQRF-UHFFFAOYSA-N
Molecular formula
C19H24N4O3
Average molar mass
356.4 g/mol

Names & identifiers

Preferred name
1-[N-(2-nitrophenyl)-2-aminoethyl]-4-(2-methoxyphenyl)piperazine
IUPAC
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitroaniline

Names & synonyms

SCHEMBL6474943AIFSUCVFHQOQRF-UHFFFAOYSA-N1-[N-(2-nitrophenyl)-2-aminoethyl]-4-(2-methoxyphenyl)piperazine

Database identifiers

PubChem CID
22482089

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
73.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Formal charge
0
Complexity
437

Related reactions

4 records
New reaction record
HRID 1206529 reaction equation
HRID 1206529As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1420569 reaction equation
HRID 1420569As productuspto-grants-2000_06
HRID 2181637 reaction equation
HRID 2181637As reactantuspto-grants-2005_05
HRID 2184828 reaction equation
HRID 2184828As productuspto-grants-2002_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes