[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol

C14H20FNO3S — CID 107326673

IUPAC[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H20FNO3S/c1-10-7-13(15)8-11(2)14(10)20(18,19)16-5-3-12(9-17)4-6-16/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyWXKXIMPXVLZRRM-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.84
Rot. Bonds3

About [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol

[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 107326673) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID107326673
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H20FNO3S/c1-10-7-13(15)8-11(2)14(10)20(18,19)16-5-3-12(9-17)4-6-16/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyWXKXIMPXVLZRRM-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine
CID 107326940
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107327561
3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 120712446
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258860
N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 107327407
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 71103813
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone
CID 107327681

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol (CID 107326673) is [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol is Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is WXKXIMPXVLZRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-7-13(15)8-11(2)14(10)20(18,19)16-5-3-12(9-17)4-6-16/h7-8,12,17H,3-6,9H2,1-2H3.
What are the key properties of [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 301.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 107326673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).