3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one

C11H18F3N3O — CID 75450947

IUPAC3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESO=C1C(N2CCNCC2)CCCN1CC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-17-5-1-2-9(10(17)18)16-6-3-15-4-7-16/h9,15H,1-8H2
InChIKeyXLAGMVOBCZQMBA-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.44
Rot. Bonds2

About 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one

3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 75450947) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID75450947
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESO=C1C(N2CCNCC2)CCCN1CC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-17-5-1-2-9(10(17)18)16-6-3-15-4-7-16/h9,15H,1-8H2
InChIKeyXLAGMVOBCZQMBA-UHFFFAOYSA-N
XLogP0.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 75450947) is 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one is O=C1C(N2CCNCC2)CCCN1CC(F)(F)F.
What is the InChIKey of 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is XLAGMVOBCZQMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)8-17-5-1-2-9(10(17)18)16-6-3-15-4-7-16/h9,15H,1-8H2.
What are the key properties of 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one?
3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 265.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 75450947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).