1-(4-Methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine

HCID 3742676

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1
InChIKey: ZDKHDBPCLRHWGS-UHFFFAOYSA-N
Molecular formula: C16H18N4O3
Average molar mass: 314.34 g/mol
Monoisotopic mass: 314.13789045

Names & identifiers

Preferred name: 1-(4-Methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
IUPAC: 1-(4-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine

Names & synonyms

SCHEMBL8931637ZDKHDBPCLRHWGS-UHFFFAOYSA-NAKOS0171279141-(4-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine2-(4-[4-Methoxyphenyl]piperazin-1-yl)-5-nitropyridine

Database identifiers

PubChem CID: 3742676

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 74.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 387

Related reactions

6 records

New reaction record

HRID 266062As productuspto-grants-1997_07

HRID 1124058As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1135230As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1239094As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1493591As productuspto-grants-1991_06

HRID 1493592As reactantuspto-grants-1991_06

Compound notes

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