1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C9H16F3N3O — CID 28596011

IUPAC1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCN1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c1-14-2-4-15(5-3-14)8(16)6-13-7-9(10,11)12/h13H,2-7H2,1H3
InChIKeyNRUWLZCVXFXYFR-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.09
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 28596011) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID28596011
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCN1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c1-14-2-4-15(5-3-14)8(16)6-13-7-9(10,11)12/h13H,2-7H2,1H3
InChIKeyNRUWLZCVXFXYFR-UHFFFAOYSA-N
XLogP-0.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 28596011) is 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CN1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is NRUWLZCVXFXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-14-2-4-15(5-3-14)8(16)6-13-7-9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 239.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 28596011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).