N-benzyl-5-(4-methylpiperazin-1-yl)-2-nitroaniline

HCID 2866378

Notes Reactions

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Basic information

Standard SMILES: CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1
InChIKey: LPOIGVZLNWEGJG-UHFFFAOYSA-N
Molecular formula: C18H22N4O2
Average molar mass: 326.4 g/mol
Monoisotopic mass: 326.17427596

Names & identifiers

Preferred name: N-benzyl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
IUPAC: N-benzyl-5-(4-methylpiperazin-1-yl)-2-nitroaniline

Names & synonyms

N-benzyl-5-(4-methylpiperazin-1-yl)-2-nitroanilineCHEMBL249033330634-15-6N-benzyl-5-(4-methyl-1-piperazinyl)-2-nitroanilineCambridge id 5746732Oprea1_000575SCHEMBL1847175LPOIGVZLNWEGJG-UHFFFAOYSA-NBDBM50544038STK019370AKOS000423962CCG-339210

Show more names

DB-086775ST51007630AB00095622-01AG-670/12281015SR-01000218894[5-(4-methylpiperazinyl)-2-nitrophenyl]benzylamineSR-01000218894-11-{3-(benzylamino)-4-nitrophenyl}-4-methylpiperazine

Database identifiers

PubChem CID: 2866378
ChEMBL: CHEMBL249033

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 400

Related reactions

4 records

New reaction record

HRID 154272As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 930538As productuspto-grants-2016_03

HRID 930539As reactantuspto-grants-2016_03

HRID 1966428As productuspto-grants-2013_04

Compound notes

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