3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione

C10H17FN2O2 — CID 80696451

IUPAC3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCF)C1=O
InChIInChI=1S/C10H17FN2O2/c1-4-7-8(14)13(6-5-11)10(2,3)9(15)12-7/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyMMPISKFSIVWUJF-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.47
Rot. Bonds3

About 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione

3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione (PubChem CID 80696451) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
PubChem CID80696451
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCF)C1=O
InChIInChI=1S/C10H17FN2O2/c1-4-7-8(14)13(6-5-11)10(2,3)9(15)12-7/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyMMPISKFSIVWUJF-UHFFFAOYSA-N
XLogP0.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64903586
3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64903585
3,6,6-triethyl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80696620
3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519279
3-ethyl-1-(3-ethylsulfanylpropyl)-6,6-dimethylpiperazine-2,5-dione
CID 113474643
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64901859
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82870547
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816
1-[(3-chloro-2-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 102862934
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 64901100

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione (CID 80696451) is 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(CCF)C1=O.
What is the InChIKey of 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is MMPISKFSIVWUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-4-7-8(14)13(6-5-11)10(2,3)9(15)12-7/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione?
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 216.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 80696451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).