1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine

C15H15ClN4O2 — CID 3426066

IUPAC1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C15H15ClN4O2/c16-12-2-1-3-13(10-12)18-6-8-19(9-7-18)15-5-4-14(11-17-15)20(21)22/h1-5,10-11H,6-9H2
InChIKeyMZBSTHFKUOXTDU-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.97
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine

1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine (PubChem CID 3426066) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine
PubChem CID3426066
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C15H15ClN4O2/c16-12-2-1-3-13(10-12)18-6-8-19(9-7-18)15-5-4-14(11-17-15)20(21)22/h1-5,10-11H,6-9H2
InChIKeyMZBSTHFKUOXTDU-UHFFFAOYSA-N
XLogP2.97
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.97
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-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine (CID 3426066) is 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine is O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The InChIKey is MZBSTHFKUOXTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-12-2-1-3-13(10-12)18-6-8-19(9-7-18)15-5-4-14(11-17-15)20(21)22/h1-5,10-11H,6-9H2.
What are the key properties of 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine?
1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine has a molecular weight of 318.76 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 3426066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).