[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine

C13H24F3N3O — CID 62966723

IUPAC[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine
SMILESNCC1(CN2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)11-19-5-3-18(4-6-19)10-12(9-17)1-7-20-8-2-12/h1-11,17H2
InChIKeyIUJNTCLOXSPJMJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.92
Rot. Bonds4

About [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine

[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine (PubChem CID 62966723) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine
PubChem CID62966723
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine
SMILESNCC1(CN2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)11-19-5-3-18(4-6-19)10-12(9-17)1-7-20-8-2-12/h1-11,17H2
InChIKeyIUJNTCLOXSPJMJ-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

Analyze [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine 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 [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine (CID 62966723) is [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine is NCC1(CN2CCN(CC(F)(F)F)CC2)CCOCC1.
What is the InChIKey of [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine?
The InChIKey is IUJNTCLOXSPJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c14-13(15,16)11-19-5-3-18(4-6-19)10-12(9-17)1-7-20-8-2-12/h1-11,17H2.
What are the key properties of [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine?
[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine 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 [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62966723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).