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1-(3-Methoxy-4-nitrophenyl)piperazine

HCID 3967409
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(N2CCNCC2)ccc1[N+](=O)[O-]
InChIKey
HPFKHBWFRKOXLW-UHFFFAOYSA-N
Molecular formula
C11H15N3O3
Average molar mass
237.25 g/mol
Monoisotopic mass
237.11134135

Names & identifiers

Preferred name
1-(3-Methoxy-4-nitrophenyl)piperazine
IUPAC
1-(3-methoxy-4-nitrophenyl)piperazine

Names & synonyms

1-(3-methoxy-4-nitrophenyl)piperazine121278-37-3MFCD00546013Oprea1_481277SCHEMBL309940SCHEMBL30267551HPFKHBWFRKOXLW-UHFFFAOYSA-NGS1652SBB098796AKOS001594776NB-07002-methoxy-1-nitro-4-piperazinylbenzene
Show more names
1-(3-methoxy-4-nitro-phenyl)piperazineDA-31179SY2732931-[3-(methyloxy)-4-nitrophenyl]piperazineCS-0302390E86123EN300-1826635F713642

Database identifiers

PubChem CID
3967409

Properties

Computed structural propertiesFilling in

XLogP
1.2
Topological polar surface area
70.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
263

Related reactions

18 records
New reaction record
HRID 294331 reaction equation
HRID 294331As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 313230 reaction equation
HRID 313230As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 419392 reaction equation
HRID 419392As productuspto-grants-2012_01
HRID 419393 reaction equation
HRID 419393As reactantuspto-grants-2012_01
HRID 419467 reaction equation
HRID 419467As productuspto-grants-2012_01
HRID 419468 reaction equation
HRID 419468As reactantuspto-grants-2012_01
HRID 419545 reaction equation
HRID 419545As reactantuspto-grants-2012_01
HRID 419637 reaction equation
HRID 419637As productuspto-grants-2012_01
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Compound notes

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