6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione

C13H23FN2O2 — CID 80698194

IUPAC6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O
InChIInChI=1S/C13H23FN2O2/c1-6-13(5)11(18)16(8-7-14)9(10(17)15-13)12(2,3)4/h9H,6-8H2,1-5H3,(H,15,17)
InChIKeyXXSHNMGJWXJODI-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.50
Rot. Bonds3

About 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione

6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione (PubChem CID 80698194) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione
PubChem CID80698194
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Name6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O
InChIInChI=1S/C13H23FN2O2/c1-6-13(5)11(18)16(8-7-14)9(10(17)15-13)12(2,3)4/h9H,6-8H2,1-5H3,(H,15,17)
InChIKeyXXSHNMGJWXJODI-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione (CID 80698194) is 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O.
What is the InChIKey of 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione?
The InChIKey is XXSHNMGJWXJODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-6-13(5)11(18)16(8-7-14)9(10(17)15-13)12(2,3)4/h9H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione?
6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione has a molecular weight of 258.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-1-(2-fluoroethyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 80698194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).