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

C13H19NO3S — CID 80702471

IUPAC4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
SMILESCC1(O)CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C13H19NO3S/c1-13(15)7-9-14(10-8-13)11-5-3-4-6-12(11)18(2,16)17/h3-6,15H,7-10H2,1-2H3
InChIKeyQOCIEBHBAIQUPO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.44
Rot. Bonds2

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

4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol (PubChem CID 80702471) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
PubChem CID80702471
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
SMILESCC1(O)CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C13H19NO3S/c1-13(15)7-9-14(10-8-13)11-5-3-4-6-12(11)18(2,16)17/h3-6,15H,7-10H2,1-2H3
InChIKeyQOCIEBHBAIQUPO-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 80703033
2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 112675007
N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 54923585
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
2-(4-hydroxy-4-methylpiperidin-1-yl)benzonitrile
CID 81115628
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine
CID 97242174
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine
CID 133363037
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796
1-[(3aR,6aS)-1'-(2-methylsulfonylphenyl)spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]ethanone
CID 138015686
ethyl (3R)-1-(2-methylsulfonylphenyl)-3-propan-2-ylpyrrolidine-3-carboxylate
CID 125139045

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol (CID 80702471) is 4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol is CC1(O)CCN(c2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol?
The InChIKey is QOCIEBHBAIQUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(15)7-9-14(10-8-13)11-5-3-4-6-12(11)18(2,16)17/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol?
4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol has a molecular weight of 269.37 g/mol, XLogP of 1.44, 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-4-ol is sourced from PubChem (CID 80702471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).