1-(4-fluoro-2-nitrophenyl)piperazine

C10H12FN3O2 — CID 2737435

IUPAC1-(4-fluoro-2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCNCC1
InChIInChI=1S/C10H12FN3O2/c11-8-1-2-9(10(7-8)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2
InChIKeyZPYLKZRKXDCEQI-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.14
Rot. Bonds2

About 1-(4-fluoro-2-nitrophenyl)piperazine

1-(4-fluoro-2-nitrophenyl)piperazine (PubChem CID 2737435) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)piperazine
PubChem CID2737435
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name1-(4-fluoro-2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCNCC1
InChIInChI=1S/C10H12FN3O2/c11-8-1-2-9(10(7-8)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2
InChIKeyZPYLKZRKXDCEQI-UHFFFAOYSA-N
XLogP1.14
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]ethanone;1-piperazin-1-ylethanone
CID 159833793
1-(azetidin-3-yl)-4-(4-fluoro-2-nitrophenyl)piperazine
CID 66203741
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
1-[2,4-dinitro-5-(1,4,7,10-tetrazacyclododec-1-yl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 11713183
1-(2-nitro-4-propan-2-ylphenyl)piperazine
CID 146771936
1-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 4599085
1-(4-fluoro-2-nitrophenyl)piperidine-4-carbaldehyde
CID 62662917
N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166
tert-butyl 4-(4-fluoro-2-nitrophenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1,4-difluoro-2-nitrobenzene
CID 162059221
1-(4-fluoro-2-nitrophenyl)-2,2-dimethylpiperazine
CID 65460801
1-(4-fluoro-2-nitrophenyl)azetidin-3-amine
CID 65249693
1-(2-fluoro-4-nitro-5-piperazin-1-ylphenyl)azepane
CID 2929455

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)piperazine?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)piperazine (CID 2737435) is 1-(4-fluoro-2-nitrophenyl)piperazine.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)piperazine?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)piperazine is O=[N+]([O-])c1cc(F)ccc1N1CCNCC1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)piperazine?
The InChIKey is ZPYLKZRKXDCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-8-1-2-9(10(7-8)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)piperazine?
1-(4-fluoro-2-nitrophenyl)piperazine has a molecular weight of 225.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)piperazine is sourced from PubChem (CID 2737435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).