1,4-bis(2-hydroxyethyl)piperazine-2,5-dione

C8H14N2O4 — CID 15646785

IUPAC1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
SMILESO=C1CN(CCO)C(=O)CN1CCO
InChIInChI=1S/C8H14N2O4/c11-3-1-9-5-8(14)10(2-4-12)6-7(9)13/h11-12H,1-6H2
InChIKeyYWCHNRDZYANMND-UHFFFAOYSA-N
MW202.21 g/mol
LogP-2.36
Rot. Bonds4

About 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione

1,4-bis(2-hydroxyethyl)piperazine-2,5-dione (PubChem CID 15646785) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
PubChem CID15646785
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
SMILESO=C1CN(CCO)C(=O)CN1CCO
InChIInChI=1S/C8H14N2O4/c11-3-1-9-5-8(14)10(2-4-12)6-7(9)13/h11-12H,1-6H2
InChIKeyYWCHNRDZYANMND-UHFFFAOYSA-N
XLogP-2.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione (CID 15646785) is 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione is O=C1CN(CCO)C(=O)CN1CCO.
What is the InChIKey of 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione?
The InChIKey is YWCHNRDZYANMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-3-1-9-5-8(14)10(2-4-12)6-7(9)13/h11-12H,1-6H2.
What are the key properties of 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione?
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione has a molecular weight of 202.21 g/mol, XLogP of -2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-hydroxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 15646785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).