[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol

C14H20FNO3S — CID 79187737

IUPAC[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
SMILESCC1CCC(C)N(S(=O)(=O)c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-10-3-4-11(2)16(8-10)20(18,19)14-6-5-12(9-17)7-13(14)15/h5-7,10-11,17H,3-4,8-9H2,1-2H3
InChIKeyXYRNEROYFAVYCK-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.13
Rot. Bonds3

About [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol

[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol (PubChem CID 79187737) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
PubChem CID79187737
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
SMILESCC1CCC(C)N(S(=O)(=O)c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-10-3-4-11(2)16(8-10)20(18,19)14-6-5-12(9-17)7-13(14)15/h5-7,10-11,17H,3-4,8-9H2,1-2H3
InChIKeyXYRNEROYFAVYCK-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol
CID 79187805
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79186814
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
CID 79178793
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
4-bromo-2-(2,5-dimethylpiperidin-1-yl)sulfonyl-5-fluoroaniline
CID 106491880
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
CID 79935876
(4-ethylsulfonyl-3-fluorophenyl)methanol
CID 112594378
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol?
The IUPAC name of [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol (CID 79187737) is [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol is CC1CCC(C)N(S(=O)(=O)c2ccc(CO)cc2F)C1.
What is the InChIKey of [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol?
The InChIKey is XYRNEROYFAVYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-3-4-11(2)16(8-10)20(18,19)14-6-5-12(9-17)7-13(14)15/h5-7,10-11,17H,3-4,8-9H2,1-2H3.
What are the key properties of [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol?
[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol has a molecular weight of 301.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol is sourced from PubChem (CID 79187737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).