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

C15H15FN4O2 — CID 3591384

IUPAC1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C15H15FN4O2/c16-13-3-1-2-4-14(13)18-7-9-19(10-8-18)15-6-5-12(11-17-15)20(21)22/h1-6,11H,7-10H2
InChIKeyNJUFZRYFHGSMRT-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.46
Rot. Bonds3

About 1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine

1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine (PubChem CID 3591384) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine
PubChem CID3591384
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C15H15FN4O2/c16-13-3-1-2-4-14(13)18-7-9-19(10-8-18)15-6-5-12(11-17-15)20(21)22/h1-6,11H,7-10H2
InChIKeyNJUFZRYFHGSMRT-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': '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-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine (CID 3591384) is 1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine is O=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)nc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The InChIKey is NJUFZRYFHGSMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-13-3-1-2-4-14(13)18-7-9-19(10-8-18)15-6-5-12(11-17-15)20(21)22/h1-6,11H,7-10H2.
What are the key properties of 1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine?
1-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)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-(2-fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 3591384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).