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

C13H26N2O3 — CID 89300580

IUPAC3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(CCO)CC(C)(C)N1OC
InChIInChI=1S/C13H26N2O3/c1-6-13(7-2)11(17)14(8-9-16)10-12(3,4)15(13)18-5/h16H,6-10H2,1-5H3
InChIKeyIYVODJNQQSMEHA-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.02
Rot. Bonds5

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

3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one (PubChem CID 89300580) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one
PubChem CID89300580
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(CCO)CC(C)(C)N1OC
InChIInChI=1S/C13H26N2O3/c1-6-13(7-2)11(17)14(8-9-16)10-12(3,4)15(13)18-5/h16H,6-10H2,1-5H3
InChIKeyIYVODJNQQSMEHA-UHFFFAOYSA-N
XLogP1.02
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 59919910
CID 59919910
2-((2-Hydroxyethyl)(propyl)amino)-1-(4-methylpiperidin-1-yl)ethan-1-one
CID 56828381
1,4bis-(2-Hydroxyethyl)-3,3,5,5-Tetramethyl-Piperazin-2-One
CID 18003347
1-Tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one
CID 18760477
2-[2,2-Diethyl-4-(2-hydroxyethyl)-6,6-dimethyl-3-oxopiperazin-1-yl]oxy-2-methylpropanenitrile
CID 18760484
1-Tert-butyl-3,5,5-triethyl-4-hydroxy-3-methylpiperazin-2-one
CID 18760496
1-Tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one
CID 18760497
3,3-Diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one
CID 18760502
3,3-Diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one
CID 18760503
3,3-Diethyl-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
CID 18760535
3,3-Diethyl-4-hydroxy-1-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
CID 18760545
1-Tert-butyl-5,5-diethyl-4-hydroxy-3,3-dimethylpiperazin-2-one
CID 18760553

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one?
The IUPAC name of 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one (CID 89300580) is 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one is CCC1(CC)C(=O)N(CCO)CC(C)(C)N1OC.
What is the InChIKey of 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one?
The InChIKey is IYVODJNQQSMEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-13(7-2)11(17)14(8-9-16)10-12(3,4)15(13)18-5/h16H,6-10H2,1-5H3.
What are the key properties of 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one?
3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one has a molecular weight of 258.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-hydroxyethyl)-4-methoxy-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 89300580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).