1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine

C15H15FN4O2 — CID 60579272

IUPAC1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccccc1N1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C15H15FN4O2/c16-14-6-3-7-15(17-14)19-10-8-18(9-11-19)12-4-1-2-5-13(12)20(21)22/h1-7H,8-11H2
InChIKeyWYYMVOHVRKQTRF-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.46
Rot. Bonds3

About 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine

1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine (PubChem CID 60579272) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine
PubChem CID60579272
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccccc1N1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C15H15FN4O2/c16-14-6-3-7-15(17-14)19-10-8-18(9-11-19)12-4-1-2-5-13(12)20(21)22/h1-7H,8-11H2
InChIKeyWYYMVOHVRKQTRF-UHFFFAOYSA-N
XLogP2.46
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine (CID 60579272) is 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine is O=[N+]([O-])c1ccccc1N1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine?
The InChIKey is WYYMVOHVRKQTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-14-6-3-7-15(17-14)19-10-8-18(9-11-19)12-4-1-2-5-13(12)20(21)22/h1-7H,8-11H2.
What are the key properties of 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine?
1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine has a molecular weight of 302.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)-4-(2-nitrophenyl)piperazine is sourced from PubChem (CID 60579272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).