3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one

C12H24N2O3 — CID 18760545

IUPAC3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(CCO)CC(C)(C)N1O
InChIInChI=1S/C12H24N2O3/c1-5-12(6-2)10(16)13(7-8-15)9-11(3,4)14(12)17/h15,17H,5-9H2,1-4H3
InChIKeyQVMPXGAWTMQQDD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.85
Rot. Bonds4

About 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one

3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one (PubChem CID 18760545) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
PubChem CID18760545
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(CCO)CC(C)(C)N1O
InChIInChI=1S/C12H24N2O3/c1-5-12(6-2)10(16)13(7-8-15)9-11(3,4)14(12)17/h15,17H,5-9H2,1-4H3
InChIKeyQVMPXGAWTMQQDD-UHFFFAOYSA-N
XLogP0.85
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one (CID 18760545) is 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one is CCC1(CC)C(=O)N(CCO)CC(C)(C)N1O.
What is the InChIKey of 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The InChIKey is QVMPXGAWTMQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-12(6-2)10(16)13(7-8-15)9-11(3,4)14(12)17/h15,17H,5-9H2,1-4H3.
What are the key properties of 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one has a molecular weight of 244.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 18760545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).