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

C9H16F3NOS — CID 116617483

IUPAC4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
SMILESCC1(O)CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NOS/c1-8(14)2-4-13(5-3-8)6-7-15-9(10,11)12/h14H,2-7H2,1H3
InChIKeyXKPDZXWMVMIFQP-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.09
Rot. Bonds3

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

4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol (PubChem CID 116617483) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
PubChem CID116617483
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
SMILESCC1(O)CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NOS/c1-8(14)2-4-13(5-3-8)6-7-15-9(10,11)12/h14H,2-7H2,1H3
InChIKeyXKPDZXWMVMIFQP-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol 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 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol (CID 116617483) is 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol is CC1(O)CCN(CCSC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The InChIKey is XKPDZXWMVMIFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-8(14)2-4-13(5-3-8)6-7-15-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol has a molecular weight of 243.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 116617483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).