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

C13H24F3N3O — CID 63741288

IUPAC2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(C1CCCOC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)10-18-3-5-19(6-4-18)12(8-17)11-2-1-7-20-9-11/h11-12H,1-10,17H2
InChIKeyLZWYUVBKZWLUQJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.92
Rot. Bonds4

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

2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 63741288) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID63741288
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(C1CCCOC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)10-18-3-5-19(6-4-18)12(8-17)11-2-1-7-20-9-11/h11-12H,1-10,17H2
InChIKeyLZWYUVBKZWLUQJ-UHFFFAOYSA-N
XLogP0.92
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 63741288) is 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is NCC(C1CCCOC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is LZWYUVBKZWLUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c14-13(15,16)10-18-3-5-19(6-4-18)12(8-17)11-2-1-7-20-9-11/h11-12H,1-10,17H2.
What are the key properties of 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 295.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 63741288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).