[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol

C13H16F3NO3S — CID 60956912

IUPAC[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)11-3-1-2-4-12(11)21(19,20)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2
InChIKeyOYFGOBXFBRGQCD-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.10
Rot. Bonds3

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

[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol (PubChem CID 60956912) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
PubChem CID60956912
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)11-3-1-2-4-12(11)21(19,20)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2
InChIKeyOYFGOBXFBRGQCD-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
CID 81241911
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
(2-amino-2-oxoethyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 2484237
(3R,4S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 79410488
3-bromo-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 80667317
4-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-ol
CID 103896734
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678902
N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
(3S,4S)-3-hydroxy-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 135116728

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol (CID 60956912) is [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol is O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(CO)CC1.
What is the InChIKey of [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The InChIKey is OYFGOBXFBRGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c14-13(15,16)11-3-1-2-4-12(11)21(19,20)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2.
What are the key properties of [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol?
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol has a molecular weight of 323.34 g/mol, XLogP of 2.10, 3 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-yl]methanol is sourced from PubChem (CID 60956912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).