3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine

C12H21F3N2S — CID 66420756

IUPAC3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
SMILESFC(F)(F)C1CCN(CCC2CSCCN2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)10-1-5-17(6-2-10)7-3-11-9-18-8-4-16-11/h10-11,16H,1-9H2
InChIKeyBEEXVFOYYPIEMF-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.36
Rot. Bonds3

About 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine

3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine (PubChem CID 66420756) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
PubChem CID66420756
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
SMILESFC(F)(F)C1CCN(CCC2CSCCN2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)10-1-5-17(6-2-10)7-3-11-9-18-8-4-16-11/h10-11,16H,1-9H2
InChIKeyBEEXVFOYYPIEMF-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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine?
The IUPAC name of 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine (CID 66420756) is 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine?
The canonical SMILES for 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine is FC(F)(F)C1CCN(CCC2CSCCN2)CC1.
What is the InChIKey of 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine?
The InChIKey is BEEXVFOYYPIEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c13-12(14,15)10-1-5-17(6-2-10)7-3-11-9-18-8-4-16-11/h10-11,16H,1-9H2.
What are the key properties of 3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine?
3-[2-[4-(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-[4-(trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine is sourced from PubChem (CID 66420756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).