1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione

C12H13FN2O2 — CID 80696629

IUPAC1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
SMILESO=C1NCC(=O)N(CCF)C1c1ccccc1
InChIInChI=1S/C12H13FN2O2/c13-6-7-15-10(16)8-14-12(17)11(15)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,17)
InChIKeyXZURWIPLURVYQS-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.66
Rot. Bonds3

About 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione

1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione (PubChem CID 80696629) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
PubChem CID80696629
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
SMILESO=C1NCC(=O)N(CCF)C1c1ccccc1
InChIInChI=1S/C12H13FN2O2/c13-6-7-15-10(16)8-14-12(17)11(15)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,17)
InChIKeyXZURWIPLURVYQS-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyethyl)-6-phenylpiperazine-2,5-dione
CID 64880475
6-phenyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432963
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281
1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione
CID 103465381
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
CID 64967995
3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
CID 80696289
3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
CID 80696421
6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210978
1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione
CID 64971483
1-(4-methylphenyl)-6-phenylpiperazine-2,5-dione
CID 64959343
1-hexan-3-yl-6-phenylpiperazine-2,5-dione
CID 64969117
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione (CID 80696629) is 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione is O=C1NCC(=O)N(CCF)C1c1ccccc1.
What is the InChIKey of 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione?
The InChIKey is XZURWIPLURVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-6-7-15-10(16)8-14-12(17)11(15)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,17).
What are the key properties of 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione?
1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione has a molecular weight of 236.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 80696629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).