4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine

C11H19F3N2S — CID 142086138

IUPAC4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine
SMILESCC1CC(C(F)(F)F)CNC1N1CCSCC1
InChIInChI=1S/C11H19F3N2S/c1-8-6-9(11(12,13)14)7-15-10(8)16-2-4-17-5-3-16/h8-10,15H,2-7H2,1H3
InChIKeyCKTCTWAOFCYRGO-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.17
Rot. Bonds1

About 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine

4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine (PubChem CID 142086138) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine
PubChem CID142086138
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Name4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine
SMILESCC1CC(C(F)(F)F)CNC1N1CCSCC1
InChIInChI=1S/C11H19F3N2S/c1-8-6-9(11(12,13)14)7-15-10(8)16-2-4-17-5-3-16/h8-10,15H,2-7H2,1H3
InChIKeyCKTCTWAOFCYRGO-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine?
The IUPAC name of 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine (CID 142086138) is 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine.
What is the SMILES notation for 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine?
The canonical SMILES for 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine is CC1CC(C(F)(F)F)CNC1N1CCSCC1.
What is the InChIKey of 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine?
The InChIKey is CKTCTWAOFCYRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c1-8-6-9(11(12,13)14)7-15-10(8)16-2-4-17-5-3-16/h8-10,15H,2-7H2,1H3.
What are the key properties of 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine?
4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine has a molecular weight of 268.35 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine is sourced from PubChem (CID 142086138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).