3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine

C11H19F3N2S — CID 82916519

IUPAC3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
SMILESFC(F)(F)C1CCCN(CC2CSCCN2)C1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)9-2-1-4-16(6-9)7-10-8-17-5-3-15-10/h9-10,15H,1-8H2
InChIKeyDVZDGJCXQHVLFD-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.97
Rot. Bonds2

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

3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine (PubChem CID 82916519) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
PubChem CID82916519
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Name3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
SMILESFC(F)(F)C1CCCN(CC2CSCCN2)C1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)9-2-1-4-16(6-9)7-10-8-17-5-3-15-10/h9-10,15H,1-8H2
InChIKeyDVZDGJCXQHVLFD-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine?
The IUPAC name of 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine (CID 82916519) is 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine?
The canonical SMILES for 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine is FC(F)(F)C1CCCN(CC2CSCCN2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine?
The InChIKey is DVZDGJCXQHVLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c12-11(13,14)9-2-1-4-16(6-9)7-10-8-17-5-3-15-10/h9-10,15H,1-8H2.
What are the key properties of 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine?
3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine has a molecular weight of 268.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine is sourced from PubChem (CID 82916519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).