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

C12H24N2O2 — CID 18760535

IUPAC3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)NC(C)(C)CN(CCO)C1=O
InChIInChI=1S/C12H24N2O2/c1-5-12(6-2)10(16)14(7-8-15)9-11(3,4)13-12/h13,15H,5-9H2,1-4H3
InChIKeyYXKOHXRRQKDSCO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds4

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

3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one (PubChem CID 18760535) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
PubChem CID18760535
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)NC(C)(C)CN(CCO)C1=O
InChIInChI=1S/C12H24N2O2/c1-5-12(6-2)10(16)14(7-8-15)9-11(3,4)13-12/h13,15H,5-9H2,1-4H3
InChIKeyYXKOHXRRQKDSCO-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperazinone, 3,3-dimethyl-4-(2-hydroxyethyl)-
CID 211160
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 53616550
1-(1-Hydroxy-2-methylpropan-2-yl)-3,3,5,5-tetramethylpiperazin-2-one
CID 12580998
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53619835
4-(1-Hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one
CID 12581006
6-[(Tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one
CID 134907530
6-Ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one
CID 134907544
4-(1-Hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
CID 134907588
5-[(Tert-butylamino)methyl]-3-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,5-dimethylpiperazin-2-one
CID 134907606
5-Ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one
CID 134975578
(3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione
CID 162402850
6,6-Diethyl-3,3-dimethyl-1-[2-(trifluoromethoxy)ethyl]piperazine-2,5-dione
CID 65802943

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one (CID 18760535) is 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one is CCC1(CC)NC(C)(C)CN(CCO)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
The InChIKey is YXKOHXRRQKDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-12(6-2)10(16)14(7-8-15)9-11(3,4)13-12/h13,15H,5-9H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one?
3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 18760535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).