1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine

C15H15FN4O2 — CID 4521024

IUPAC1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN4O2/c16-12-3-5-13(6-4-12)18-8-10-19(11-9-18)15-14(20(21)22)2-1-7-17-15/h1-7H,8-11H2
InChIKeyBMESPRMLRMHGFD-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.46
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine

1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine (PubChem CID 4521024) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine
PubChem CID4521024
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN4O2/c16-12-3-5-13(6-4-12)18-8-10-19(11-9-18)15-14(20(21)22)2-1-7-17-15/h1-7H,8-11H2
InChIKeyBMESPRMLRMHGFD-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-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine (CID 4521024) is 1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine is O=[N+]([O-])c1cccnc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine?
The InChIKey is BMESPRMLRMHGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-12-3-5-13(6-4-12)18-8-10-19(11-9-18)15-14(20(21)22)2-1-7-17-15/h1-7H,8-11H2.
What are the key properties of 1-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine?
1-(4-fluorophenyl)-4-(3-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-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 4521024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).