2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione

C10H12N2O2 — CID 57064702

IUPAC2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(N2CCNCC2)=C1
InChIInChI=1S/C10H12N2O2/c13-8-1-2-10(14)9(7-8)12-5-3-11-4-6-12/h1-2,7,11H,3-6H2
InChIKeyQQGLFINXNKAODU-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.52
Rot. Bonds1

About 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione

2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 57064702) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID57064702
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(N2CCNCC2)=C1
InChIInChI=1S/C10H12N2O2/c13-8-1-2-10(14)9(7-8)12-5-3-11-4-6-12/h1-2,7,11H,3-6H2
InChIKeyQQGLFINXNKAODU-UHFFFAOYSA-N
XLogP-0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione (CID 57064702) is 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C(N2CCNCC2)=C1.
What is the InChIKey of 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is QQGLFINXNKAODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-8-1-2-10(14)9(7-8)12-5-3-11-4-6-12/h1-2,7,11H,3-6H2.
What are the key properties of 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione?
2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 192.22 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 57064702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).