1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one

C12H24N2O3 — CID 18003347

IUPAC1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC1(C)CN(CCO)C(=O)C(C)(C)N1CCO
InChIInChI=1S/C12H24N2O3/c1-11(2)9-13(5-7-15)10(17)12(3,4)14(11)6-8-16/h15-16H,5-9H2,1-4H3
InChIKeyILYSENRAZISKGY-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.33
Rot. Bonds4

About 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one

1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 18003347) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
PubChem CID18003347
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC1(C)CN(CCO)C(=O)C(C)(C)N1CCO
InChIInChI=1S/C12H24N2O3/c1-11(2)9-13(5-7-15)10(17)12(3,4)14(11)6-8-16/h15-16H,5-9H2,1-4H3
InChIKeyILYSENRAZISKGY-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-1-(2-hydroxyethyl)-3,3-dimethylpiperazine-2,5-dione
CID 54581543
4-Chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 54582542
2-Piperazinone, 3,3-dimethyl-4-(2-hydroxyethyl)-
CID 211160
1,4-Bis[1-(hydroxymethyl)propyl]piperazine-2,3-dione
CID 469962
4-(3-Hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 71988721
4-(2-Methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 75374977
4-[2-(2-Hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 84585055
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2995934
1-(1-Hydroxy-2-methylpropan-2-yl)-3,3,5,5-tetramethylpiperazin-2-one
CID 12580998
1-(2-Hydroxyethyl) 4-(1-oxobutyl)-piperazine
CID 15838679
2-[Cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
CID 56802686
2-((2-Hydroxyethyl)(methyl)amino)-1-(2-methylpiperidin-1-yl)ethan-1-one
CID 60683912

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one?
The IUPAC name of 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one (CID 18003347) is 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one.
What is the SMILES notation for 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one?
The canonical SMILES for 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one is CC1(C)CN(CCO)C(=O)C(C)(C)N1CCO.
What is the InChIKey of 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one?
The InChIKey is ILYSENRAZISKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2)9-13(5-7-15)10(17)12(3,4)14(11)6-8-16/h15-16H,5-9H2,1-4H3.
What are the key properties of 1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one?
1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 244.33 g/mol, XLogP of -0.33, 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)-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 18003347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).