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

C11H20F3N3S — CID 82917032

IUPAC3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine
SMILESFC(F)(F)CN1CCN(CC2CSCCN2)CC1
InChIInChI=1S/C11H20F3N3S/c12-11(13,14)9-17-4-2-16(3-5-17)7-10-8-18-6-1-15-10/h10,15H,1-9H2
InChIKeyUJWBNNSPDPYECG-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.87
Rot. Bonds3

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

3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine (PubChem CID 82917032) has the molecular formula C11H20F3N3S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine
PubChem CID82917032
Molecular FormulaC11H20F3N3S
Molecular Weight283.36 g/mol
Exact Mass283.13
IUPAC Name3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine
SMILESFC(F)(F)CN1CCN(CC2CSCCN2)CC1
InChIInChI=1S/C11H20F3N3S/c12-11(13,14)9-17-4-2-16(3-5-17)7-10-8-18-6-1-15-10/h10,15H,1-9H2
InChIKeyUJWBNNSPDPYECG-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
4-Methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 60810555
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
1,1,1-Trifluoro-2-(3-methylthiomorpholin-4-yl)pentan-3-amine
CID 64039717
3,3,3-Trifluoro-2-(3-methylthiomorpholin-4-yl)propan-1-amine
CID 64039914
4,4,4-Trifluoro-3-(3-methylthiomorpholin-4-yl)butan-2-amine
CID 64040126
2-(3-methylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64052633
2,2,2-trifluoro-N-[2-(3-methylthiomorpholin-4-yl)ethyl]ethanamine
CID 64053849
2-(2,6-Dimethylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine
CID 64115923
3-(2,6-Dimethylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 64116132
2-(2,6-dimethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64118260

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine?
The IUPAC name of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine (CID 82917032) is 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine.
What is the SMILES notation for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine?
The canonical SMILES for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine is FC(F)(F)CN1CCN(CC2CSCCN2)CC1.
What is the InChIKey of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine?
The InChIKey is UJWBNNSPDPYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3S/c12-11(13,14)9-17-4-2-16(3-5-17)7-10-8-18-6-1-15-10/h10,15H,1-9H2.
What are the key properties of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine?
3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine has a molecular weight of 283.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine is sourced from PubChem (CID 82917032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).