3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol

C9H16F3NOS — CID 114502645

IUPAC3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
SMILESCC1CN(CCSC(F)(F)F)CCC1O
InChIInChI=1S/C9H16F3NOS/c1-7-6-13(3-2-8(7)14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyBXFVTEJGQTZPBI-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.94
Rot. Bonds3

About 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol

3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol (PubChem CID 114502645) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
PubChem CID114502645
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
SMILESCC1CN(CCSC(F)(F)F)CCC1O
InChIInChI=1S/C9H16F3NOS/c1-7-6-13(3-2-8(7)14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyBXFVTEJGQTZPBI-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol (CID 114502645) is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol is CC1CN(CCSC(F)(F)F)CCC1O.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The InChIKey is BXFVTEJGQTZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-7-6-13(3-2-8(7)14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol has a molecular weight of 243.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 114502645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).