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

C12H22F3N3O — CID 66262800

IUPAC4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESCC1(CN2CCN(CC(F)(F)F)CC2)COCC1N
InChIInChI=1S/C12H22F3N3O/c1-11(9-19-6-10(11)16)7-17-2-4-18(5-3-17)8-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyQNJLDKKUKGHQPU-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.53
Rot. Bonds3

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

4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine (PubChem CID 66262800) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine
PubChem CID66262800
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESCC1(CN2CCN(CC(F)(F)F)CC2)COCC1N
InChIInChI=1S/C12H22F3N3O/c1-11(9-19-6-10(11)16)7-17-2-4-18(5-3-17)8-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyQNJLDKKUKGHQPU-UHFFFAOYSA-N
XLogP0.53
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine 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-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine (CID 66262800) is 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine is CC1(CN2CCN(CC(F)(F)F)CC2)COCC1N.
What is the InChIKey of 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine?
The InChIKey is QNJLDKKUKGHQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-11(9-19-6-10(11)16)7-17-2-4-18(5-3-17)8-12(13,14)15/h10H,2-9,16H2,1H3.
What are the key properties of 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine?
4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine has a molecular weight of 281.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66262800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).