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

C9H16F3NOS — CID 116617494

IUPAC3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
SMILESCC1(O)CCCN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-8(14)3-2-4-13(7-8)5-6-15-9(10,11)12/h14H,2-7H2,1H3
InChIKeyYCYYJOGQQHPOIQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.09
Rot. Bonds3

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

3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol (PubChem CID 116617494) 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-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
PubChem CID116617494
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
SMILESCC1(O)CCCN(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-8(14)3-2-4-13(7-8)5-6-15-9(10,11)12/h14H,2-7H2,1H3
InChIKeyYCYYJOGQQHPOIQ-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 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
CID 145307662
Ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
CID 166471354
4,4-Difluoro-1,3-dimethylpiperidin-3-ol;ethane
CID 168906550
3-(Difluoromethyl)-1-propylpiperidin-3-ol
CID 175738596
1-Propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
4-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
CID 102959740
1-(2-Ethylsulfanylethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109851778
1-(3-Methylsulfanylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109851792
3-Methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol
CID 115874138
3-Methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol
CID 116426245
3-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617474
4-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
CID 116617483

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol (CID 116617494) is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol is CC1(O)CCCN(CCSC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol?
The InChIKey is YCYYJOGQQHPOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-8(14)3-2-4-13(7-8)5-6-15-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol?
3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-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 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol is sourced from PubChem (CID 116617494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).