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

C11H16N4O2 — CID 2848980

IUPAC1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
SMILESCCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H16N4O2/c1-2-13-5-7-14(8-6-13)11-4-3-10(9-12-11)15(16)17/h3-4,9H,2,5-8H2,1H3
InChIKeySYRNFCTUTWHXPO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.13
Rot. Bonds3

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

1-ethyl-4-(5-nitro-2-pyridinyl)piperazine (PubChem CID 2848980) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-ethyl-4-(5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
PubChem CID2848980
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
SMILESCCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H16N4O2/c1-2-13-5-7-14(8-6-13)11-4-3-10(9-12-11)15(16)17/h3-4,9H,2,5-8H2,1H3
InChIKeySYRNFCTUTWHXPO-UHFFFAOYSA-N
XLogP1.13
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.13
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-ethyl-4-(5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-ethyl-4-(5-nitro-2-pyridinyl)piperazine (CID 2848980) is 1-ethyl-4-(5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-ethyl-4-(5-nitro-2-pyridinyl)piperazine is CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 1-ethyl-4-(5-nitro-2-pyridinyl)piperazine?
The InChIKey is SYRNFCTUTWHXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-13-5-7-14(8-6-13)11-4-3-10(9-12-11)15(16)17/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-4-(5-nitro-2-pyridinyl)piperazine?
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine has a molecular weight of 236.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 2848980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).