2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol

C14H21NO3S — CID 62358143

IUPAC2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
SMILESCS(=O)(=O)c1ccccc1N1CCCC(CCO)C1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)14-7-3-2-6-13(14)15-9-4-5-12(11-15)8-10-16/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyQKVKEMRVSIWEBR-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.69
Rot. Bonds4

About 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol

2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol (PubChem CID 62358143) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
PubChem CID62358143
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
SMILESCS(=O)(=O)c1ccccc1N1CCCC(CCO)C1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)14-7-3-2-6-13(14)15-9-4-5-12(11-15)8-10-16/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyQKVKEMRVSIWEBR-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
CID 133355858
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
3-(2-chloroethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 63390486
2-[1-(2-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 63077968
3-[1-(3-methylsulfonyl-2-nitrophenyl)piperidin-3-yl]propanamide
CID 133432579
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
CID 114054274
N'-hydroxy-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227549
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
CID 107226922

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol (CID 62358143) is 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol is CS(=O)(=O)c1ccccc1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol?
The InChIKey is QKVKEMRVSIWEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-19(17,18)14-7-3-2-6-13(14)15-9-4-5-12(11-15)8-10-16/h2-3,6-7,12,16H,4-5,8-11H2,1H3.
What are the key properties of 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol?
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol has a molecular weight of 283.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 62358143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).