4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol

C13H19NO3S — CID 103896232

IUPAC4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
SMILESCC1CCN(c2ccccc2S(C)(=O)=O)CC1O
InChIInChI=1S/C13H19NO3S/c1-10-7-8-14(9-12(10)15)11-5-3-4-6-13(11)18(2,16)17/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyJJJNKMDZOAJIIT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.30
Rot. Bonds2

About 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol

4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol (PubChem CID 103896232) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
PubChem CID103896232
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
SMILESCC1CCN(c2ccccc2S(C)(=O)=O)CC1O
InChIInChI=1S/C13H19NO3S/c1-10-7-8-14(9-12(10)15)11-5-3-4-6-13(11)18(2,16)17/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyJJJNKMDZOAJIIT-UHFFFAOYSA-N
XLogP1.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 54923585
1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 55132124
3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine
CID 71971828
1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
CID 114680750
3-methyl-1-(3-methylsulfonyl-2-nitrophenyl)piperidin-4-ol
CID 114680963
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine
CID 133363037
(3S)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113239909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol (CID 103896232) is 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol is CC1CCN(c2ccccc2S(C)(=O)=O)CC1O.
What is the InChIKey of 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol?
The InChIKey is JJJNKMDZOAJIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-7-8-14(9-12(10)15)11-5-3-4-6-13(11)18(2,16)17/h3-6,10,12,15H,7-9H2,1-2H3.
What are the key properties of 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol?
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol has a molecular weight of 269.37 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol is sourced from PubChem (CID 103896232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).