1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol

C13H19NO4S — CID 91759163

IUPAC1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
SMILESCc1cc(O)cc(C)c1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C13H19NO4S/c1-9-7-12(16)8-10(2)13(9)19(17,18)14-5-3-11(15)4-6-14/h7-8,11,15-16H,3-6H2,1-2H3
InChIKeyWEYANXDCCUQKHF-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.15
Rot. Bonds2

About 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol

1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol (PubChem CID 91759163) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
PubChem CID91759163
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
SMILESCc1cc(O)cc(C)c1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C13H19NO4S/c1-9-7-12(16)8-10(2)13(9)19(17,18)14-5-3-11(15)4-6-14/h7-8,11,15-16H,3-6H2,1-2H3
InChIKeyWEYANXDCCUQKHF-UHFFFAOYSA-N
XLogP1.15
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol (CID 91759163) is 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol is Cc1cc(O)cc(C)c1S(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is WEYANXDCCUQKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9-7-12(16)8-10(2)13(9)19(17,18)14-5-3-11(15)4-6-14/h7-8,11,15-16H,3-6H2,1-2H3.
What are the key properties of 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol?
1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 285.36 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 91759163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).