2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol

C14H20FNO3S — CID 60958149

IUPAC2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCCCC1CCO
InChIInChI=1S/C14H20FNO3S/c15-13-6-4-12(5-7-13)11-20(18,19)16-9-2-1-3-14(16)8-10-17/h4-7,14,17H,1-3,8-11H2
InChIKeyZESKUTSSNJFGCU-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.89
Rot. Bonds5

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

2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol (PubChem CID 60958149) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol
PubChem CID60958149
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCCCC1CCO
InChIInChI=1S/C14H20FNO3S/c15-13-6-4-12(5-7-13)11-20(18,19)16-9-2-1-3-14(16)8-10-17/h4-7,14,17H,1-3,8-11H2
InChIKeyZESKUTSSNJFGCU-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol (CID 60958149) is 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol is O=S(=O)(Cc1ccc(F)cc1)N1CCCCC1CCO.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol?
The InChIKey is ZESKUTSSNJFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c15-13-6-4-12(5-7-13)11-20(18,19)16-9-2-1-3-14(16)8-10-17/h4-7,14,17H,1-3,8-11H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol?
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol has a molecular weight of 301.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 60958149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).