3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol

C11H20F3NO3S — CID 114510130

IUPAC3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
SMILESCCC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1O
InChIInChI=1S/C11H20F3NO3S/c1-2-9-8-15(6-4-10(9)16)19(17,18)7-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyLILKPCWTMZXUDC-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.75
Rot. Bonds5

About 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol

3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol (PubChem CID 114510130) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
PubChem CID114510130
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
SMILESCCC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1O
InChIInChI=1S/C11H20F3NO3S/c1-2-9-8-15(6-4-10(9)16)19(17,18)7-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyLILKPCWTMZXUDC-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-[1-(oxolan-3-ylmethylsulfonyl)piperidin-4-yl]ethanol
CID 75427686
1-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65732239
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylethanol
CID 65732241
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-ol
CID 65732431
3-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65732813
4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-ol
CID 65733771
2-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65733963
2-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylethanol
CID 65733965
3-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65734153
2,2,2-Trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 71916120
4,4,4-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609549

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol (CID 114510130) is 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol is CCC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1O.
What is the InChIKey of 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The InChIKey is LILKPCWTMZXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c1-2-9-8-15(6-4-10(9)16)19(17,18)7-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol has a molecular weight of 303.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 114510130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).