1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol

C10H21NO3S — CID 59861759

IUPAC1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO3S/c1-9(12)10-3-5-11(6-4-10)7-8-15(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyLYVDADQZJPXBKG-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.12
Rot. Bonds4

About 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol

1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol (PubChem CID 59861759) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol
PubChem CID59861759
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO3S/c1-9(12)10-3-5-11(6-4-10)7-8-15(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyLYVDADQZJPXBKG-UHFFFAOYSA-N
XLogP0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[Methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol
CID 56802566
4-(Isopropoxymethyl)-1-[2-(methylsulfonyl)ethyl]piperidine
CID 131947962
(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol
CID 164638196
(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
CID 164639391
2,2,2-Trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 71916120
(1S)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 97098892
(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 97098893
1-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]ethanol
CID 103943153
1-(3-Fluoropropylsulfonyl)-4-methylpiperidin-3-ol
CID 109948468
1-(1-Ethylsulfonylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 112316779
2,2,2-Trifluoro-1-[1-(2-methylpentylsulfonyl)piperidin-4-yl]ethanol
CID 112316781
1-(1-Butylsulfonylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 112316783

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol (CID 59861759) is 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol is CC(O)C1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol?
The InChIKey is LYVDADQZJPXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(12)10-3-5-11(6-4-10)7-8-15(2,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol?
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol has a molecular weight of 235.35 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 59861759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).