1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol

C12H14F3NO3S — CID 43394304

IUPAC1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)10-3-1-2-4-11(10)20(18,19)16-7-5-9(17)6-8-16/h1-4,9,17H,5-8H2
InChIKeyJPFJJNCCAHOTQY-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.85
Rot. Bonds2

About 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol

1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol (PubChem CID 43394304) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
PubChem CID43394304
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)10-3-1-2-4-11(10)20(18,19)16-7-5-9(17)6-8-16/h1-4,9,17H,5-8H2
InChIKeyJPFJJNCCAHOTQY-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
4-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-ol
CID 103896734
(3R,4S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 79410488
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
(3S,4S)-3-hydroxy-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 135116728
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394334
3-bromo-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 80667317
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678902
N-(2-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46665454
(2-amino-2-oxoethyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 2484237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol (CID 43394304) is 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The InChIKey is JPFJJNCCAHOTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-12(14,15)10-3-1-2-4-11(10)20(18,19)16-7-5-9(17)6-8-16/h1-4,9,17H,5-8H2.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol has a molecular weight of 309.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 43394304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).