1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C12H22F3N3O2 — CID 78958007

IUPAC1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC(C)(O)CN1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c1-11(2,20)9-17-3-5-18(6-4-17)10(19)7-16-8-12(13,14)15/h16,20H,3-9H2,1-2H3
InChIKeyOVHDEGIBZXTDSH-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.05
Rot. Bonds5

About 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78958007) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78958007
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC(C)(O)CN1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c1-11(2,20)9-17-3-5-18(6-4-17)10(19)7-16-8-12(13,14)15/h16,20H,3-9H2,1-2H3
InChIKeyOVHDEGIBZXTDSH-UHFFFAOYSA-N
XLogP0.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 78958007) is 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is CC(C)(O)CN1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is OVHDEGIBZXTDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-11(2,20)9-17-3-5-18(6-4-17)10(19)7-16-8-12(13,14)15/h16,20H,3-9H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 297.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78958007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).