3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine

C12H21F3N2S — CID 66420755

IUPAC3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
SMILESFC(F)(F)C1CCCN(CCC2CSCCN2)C1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)10-2-1-5-17(8-10)6-3-11-9-18-7-4-16-11/h10-11,16H,1-9H2
InChIKeyJFCDKTXYPIFVDS-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.36
Rot. Bonds3

About 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine

3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine (PubChem CID 66420755) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
PubChem CID66420755
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
SMILESFC(F)(F)C1CCCN(CCC2CSCCN2)C1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)10-2-1-5-17(8-10)6-3-11-9-18-7-4-16-11/h10-11,16H,1-9H2
InChIKeyJFCDKTXYPIFVDS-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine 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 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine?
The IUPAC name of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine (CID 66420755) is 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine is FC(F)(F)C1CCCN(CCC2CSCCN2)C1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine?
The InChIKey is JFCDKTXYPIFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c13-12(14,15)10-2-1-5-17(8-10)6-3-11-9-18-7-4-16-11/h10-11,16H,1-9H2.
What are the key properties of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine?
3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine has a molecular weight of 282.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine is sourced from PubChem (CID 66420755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).