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

C8H14F3NOS — CID 114451950

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
SMILESOC1CCNCC1CCSC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)14-4-2-6-5-12-3-1-7(6)13/h6-7,12-13H,1-5H2
InChIKeyHPDJQUHNOHVNFW-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.60
Rot. Bonds3

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

3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol (PubChem CID 114451950) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
PubChem CID114451950
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
SMILESOC1CCNCC1CCSC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)14-4-2-6-5-12-3-1-7(6)13/h6-7,12-13H,1-5H2
InChIKeyHPDJQUHNOHVNFW-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol (CID 114451950) is 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol is OC1CCNCC1CCSC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The InChIKey is HPDJQUHNOHVNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c9-8(10,11)14-4-2-6-5-12-3-1-7(6)13/h6-7,12-13H,1-5H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol has a molecular weight of 229.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 114451950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).