2-(4-fluoropiperidin-1-yl)sulfonylethanol

C7H14FNO3S — CID 164659335

IUPAC2-(4-fluoropiperidin-1-yl)sulfonylethanol
SMILESO=S(=O)(CCO)N1CCC(F)CC1
InChIInChI=1S/C7H14FNO3S/c8-7-1-3-9(4-2-7)13(11,12)6-5-10/h7,10H,1-6H2
InChIKeyLVPUEOAURKJLGO-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.26
Rot. Bonds3

About 2-(4-fluoropiperidin-1-yl)sulfonylethanol

2-(4-fluoropiperidin-1-yl)sulfonylethanol (PubChem CID 164659335) has the molecular formula C7H14FNO3S and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)sulfonylethanol.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)sulfonylethanol
PubChem CID164659335
Molecular FormulaC7H14FNO3S
Molecular Weight211.26 g/mol
Exact Mass211.07
IUPAC Name2-(4-fluoropiperidin-1-yl)sulfonylethanol
SMILESO=S(=O)(CCO)N1CCC(F)CC1
InChIInChI=1S/C7H14FNO3S/c8-7-1-3-9(4-2-7)13(11,12)6-5-10/h7,10H,1-6H2
InChIKeyLVPUEOAURKJLGO-UHFFFAOYSA-N
XLogP-0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-1-yl)sulfonylethanol?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)sulfonylethanol (CID 164659335) is 2-(4-fluoropiperidin-1-yl)sulfonylethanol.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)sulfonylethanol?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)sulfonylethanol is O=S(=O)(CCO)N1CCC(F)CC1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)sulfonylethanol?
The InChIKey is LVPUEOAURKJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3S/c8-7-1-3-9(4-2-7)13(11,12)6-5-10/h7,10H,1-6H2.
What are the key properties of 2-(4-fluoropiperidin-1-yl)sulfonylethanol?
2-(4-fluoropiperidin-1-yl)sulfonylethanol has a molecular weight of 211.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)sulfonylethanol is sourced from PubChem (CID 164659335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).