1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione

C14H16F2N2O2 — CID 116790839

IUPAC1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CC(F)(F)c2ccccc2)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-9-13(20)18(10(2)12(19)17-9)8-14(15,16)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19)
InChIKeyGIOAKHVVIXCUSH-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.51
Rot. Bonds3

About 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione

1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 116790839) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID116790839
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CC(F)(F)c2ccccc2)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-9-13(20)18(10(2)12(19)17-9)8-14(15,16)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19)
InChIKeyGIOAKHVVIXCUSH-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione
CID 116790844
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635
1-(2-methoxy-2-methylpropyl)-6-methyl-3-phenylpiperazine-2,5-dione
CID 104766436
1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 64960861
1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
CID 64872743
3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione
CID 64971462
3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64872687
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64875250
4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine
CID 114682382
1-(2-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958027

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione (CID 116790839) is 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione is CC1NC(=O)C(C)N(CC(F)(F)c2ccccc2)C1=O.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is GIOAKHVVIXCUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-9-13(20)18(10(2)12(19)17-9)8-14(15,16)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19).
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione?
1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 282.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 116790839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).