1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

C14H19Cl2NO3S — CID 79609528

IUPAC1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NO3S/c1-21(19,20)17-4-2-3-10(9-17)5-14(18)11-6-12(15)8-13(16)7-11/h6-8,10,14,18H,2-5,9H2,1H3
InChIKeyAECJSQYHKZLOSV-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.09
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 79609528) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID79609528
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NO3S/c1-21(19,20)17-4-2-3-10(9-17)5-14(18)11-6-12(15)8-13(16)7-11/h6-8,10,14,18H,2-5,9H2,1H3
InChIKeyAECJSQYHKZLOSV-UHFFFAOYSA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115566596
1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609288
1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620403
2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619905
1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
1-(3-chloro-4-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612155
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 79609528) is 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is AECJSQYHKZLOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-21(19,20)17-4-2-3-10(9-17)5-14(18)11-6-12(15)8-13(16)7-11/h6-8,10,14,18H,2-5,9H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 352.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 79609528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).