1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C11H18F3N3O — CID 79260833

IUPAC1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESC=CCN1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O/c1-2-3-16-4-6-17(7-5-16)10(18)8-15-9-11(12,13)14/h2,15H,1,3-9H2
InChIKeyNRDFNXHNBJVFGQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.47
Rot. Bonds5

About 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 79260833) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID79260833
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESC=CCN1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O/c1-2-3-16-4-6-17(7-5-16)10(18)8-15-9-11(12,13)14/h2,15H,1,3-9H2
InChIKeyNRDFNXHNBJVFGQ-UHFFFAOYSA-N
XLogP0.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 79260833) is 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is C=CCN1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is NRDFNXHNBJVFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-3-16-4-6-17(7-5-16)10(18)8-15-9-11(12,13)14/h2,15H,1,3-9H2.
What are the key properties of 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 265.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 79260833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).