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

C16H16FN3O2 — CID 2765094

IUPAC1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C16H16FN3O2/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(8-6-15)20(21)22/h1-8H,9-12H2
InChIKeyQJWPGXTWEMHBEK-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.06
Rot. Bonds3

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

1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine (PubChem CID 2765094) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine
PubChem CID2765094
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C16H16FN3O2/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(8-6-15)20(21)22/h1-8H,9-12H2
InChIKeyQJWPGXTWEMHBEK-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine (CID 2765094) is 1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine is O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine?
The InChIKey is QJWPGXTWEMHBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(8-6-15)20(21)22/h1-8H,9-12H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine?
1-(4-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-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine is sourced from PubChem (CID 2765094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).