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

C16H16FN3O2 — CID 3124723

IUPAC1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C16H16FN3O2/c17-15-3-1-2-4-16(15)19-11-9-18(10-12-19)13-5-7-14(8-6-13)20(21)22/h1-8H,9-12H2
InChIKeyNEJGJEZOPVVSAF-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.06
Rot. Bonds3

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

1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine (PubChem CID 3124723) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine
PubChem CID3124723
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C16H16FN3O2/c17-15-3-1-2-4-16(15)19-11-9-18(10-12-19)13-5-7-14(8-6-13)20(21)22/h1-8H,9-12H2
InChIKeyNEJGJEZOPVVSAF-UHFFFAOYSA-N
XLogP3.06
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[4-(4-nitrophenyl)piperazin-1-yl]benzonitrile
CID 33482416
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 22538453
3-[4-(4-chlorophenyl)piperazin-1-yl]propane-1-sulfonic acid;3-[4-(2-fluorophenyl)piperazin-1-yl]propane-1-sulfonic acid;3-[4-(4-fluorophenyl)piperazin-1-yl]propane-1-sulfonic acid;methane;3-[4-(4-nitrophenyl)piperazin-1-yl]propane-1-sulfonic acid;3-(4-phenylpiperazin-1-yl)propane-1-sulfonic acid
CID 158412832
(3,5-dinitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2496852
1-bis(2-fluorophenoxy)phosphoryl-4-(4-nitrophenyl)piperazine
CID 56690589
1-(2-fluorophenyl)-4-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]piperazine
CID 1317592
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-nitrophenol
CID 783305
2-fluoro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
CID 2906400
[4-(2-fluorophenyl)piperazin-1-yl]-(5-nitro-2-piperidin-1-ylphenyl)methanone
CID 55342790
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitrobenzamide
CID 16825826
1-methanidyl-4-(4-nitrophenyl)piperazin-1-ium
CID 20723203

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine (CID 3124723) is 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine is O=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine?
The InChIKey is NEJGJEZOPVVSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-15-3-1-2-4-16(15)19-11-9-18(10-12-19)13-5-7-14(8-6-13)20(21)22/h1-8H,9-12H2.
What are the key properties of 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine?
1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine has a molecular weight of 301.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine is sourced from PubChem (CID 3124723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).