2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

C12H22F3N3O — CID 43362683

IUPAC2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(C1CCOC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)9-17-2-4-18(5-3-17)11(7-16)10-1-6-19-8-10/h10-11H,1-9,16H2
InChIKeyGLKHMWWWRHUNTK-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.53
Rot. Bonds4

About 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 43362683) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID43362683
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(C1CCOC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)9-17-2-4-18(5-3-17)11(7-16)10-1-6-19-8-10/h10-11H,1-9,16H2
InChIKeyGLKHMWWWRHUNTK-UHFFFAOYSA-N
XLogP0.53
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 43362683) is 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is NCC(C1CCOC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is GLKHMWWWRHUNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c13-12(14,15)9-17-2-4-18(5-3-17)11(7-16)10-1-6-19-8-10/h10-11H,1-9,16H2.
What are the key properties of 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 281.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 43362683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).