[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol

C13H19NO3S — CID 3318640

IUPAC[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-4-6-13(7-5-11)18(16,17)14-8-2-3-12(9-14)10-15/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyKRIZHDVUBIBSIY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol

[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 3318640) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID3318640
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-4-6-13(7-5-11)18(16,17)14-8-2-3-12(9-14)10-15/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyKRIZHDVUBIBSIY-UHFFFAOYSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
[1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-3-yl]methanol
CID 3325667
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-methylbenzenecarbothioamide
CID 106920062
3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 102167204
3-bromo-1-(4-methylphenyl)sulfonylpiperidine
CID 80676007

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol (CID 3318640) is [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol is Cc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is KRIZHDVUBIBSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-4-6-13(7-5-11)18(16,17)14-8-2-3-12(9-14)10-15/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol?
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 269.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 3318640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).