4-(2-hydroxyethyl)piperazine-2,6-dione

C6H10N2O3 — CID 45099481

IUPAC4-(2-hydroxyethyl)piperazine-2,6-dione
SMILESO=C1CN(CCO)CC(=O)N1
InChIInChI=1S/C6H10N2O3/c9-2-1-8-3-5(10)7-6(11)4-8/h9H,1-4H2,(H,7,10,11)
InChIKeyXFGLZOQWQOHWTL-UHFFFAOYSA-N
MW158.16 g/mol
LogP-2.06
Rot. Bonds2

About 4-(2-hydroxyethyl)piperazine-2,6-dione

4-(2-hydroxyethyl)piperazine-2,6-dione (PubChem CID 45099481) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-hydroxyethyl)piperazine-2,6-dione
PubChem CID45099481
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name4-(2-hydroxyethyl)piperazine-2,6-dione
SMILESO=C1CN(CCO)CC(=O)N1
InChIInChI=1S/C6H10N2O3/c9-2-1-8-3-5(10)7-6(11)4-8/h9H,1-4H2,(H,7,10,11)
InChIKeyXFGLZOQWQOHWTL-UHFFFAOYSA-N
XLogP-2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-hydroxyethyl)piperazine-2,6-dione (CID 45099481) is 4-(2-hydroxyethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-hydroxyethyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-hydroxyethyl)piperazine-2,6-dione is O=C1CN(CCO)CC(=O)N1.
What is the InChIKey of 4-(2-hydroxyethyl)piperazine-2,6-dione?
The InChIKey is XFGLZOQWQOHWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-2-1-8-3-5(10)7-6(11)4-8/h9H,1-4H2,(H,7,10,11).
What are the key properties of 4-(2-hydroxyethyl)piperazine-2,6-dione?
4-(2-hydroxyethyl)piperazine-2,6-dione has a molecular weight of 158.16 g/mol, XLogP of -2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)piperazine-2,6-dione is sourced from PubChem (CID 45099481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).