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

C10H18F3NOS — CID 114511118

IUPAC3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
SMILESCCC1CN(CCSC(F)(F)F)CCC1O
InChIInChI=1S/C10H18F3NOS/c1-2-8-7-14(4-3-9(8)15)5-6-16-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyAIAQEDQXPWMGNS-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.33
Rot. Bonds4

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

3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol (PubChem CID 114511118) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
PubChem CID114511118
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
SMILESCCC1CN(CCSC(F)(F)F)CCC1O
InChIInChI=1S/C10H18F3NOS/c1-2-8-7-14(4-3-9(8)15)5-6-16-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyAIAQEDQXPWMGNS-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Difluoro-5-(4-methyl-1,4-thiazepan-2-yl)-1-propan-2-ylpiperidin-4-ol
CID 177033393
4-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
CID 102959740
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol
CID 104891391
2,2,2-Trifluoro-1-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]ethanol
CID 109868347
1-[1-(2-Ethylsulfanylethyl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112326729
2,2,2-Trifluoro-1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanol
CID 112326738
3-[2-(Trifluoromethylsulfanyl)ethyl]piperidin-4-ol
CID 114451950
3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol
CID 114502645
3-Ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ol
CID 114510849
3-Ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
CID 114510903
3-Ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 114511146
1-(2,2-Difluoroethyl)-3-ethylpiperidin-4-ol
CID 114511177

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The IUPAC name of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol (CID 114511118) is 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol is CCC1CN(CCSC(F)(F)F)CCC1O.
What is the InChIKey of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
The InChIKey is AIAQEDQXPWMGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-2-8-7-14(4-3-9(8)15)5-6-16-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol?
3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol has a molecular weight of 257.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 114511118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).