4-(1-ethylsulfonylpiperidin-4-yl)phenol

C13H19NO3S — CID 54861048

IUPAC4-(1-ethylsulfonylpiperidin-4-yl)phenol
SMILESCCS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H19NO3S/c1-2-18(16,17)14-9-7-12(8-10-14)11-3-5-13(15)6-4-11/h3-6,12,15H,2,7-10H2,1H3
InChIKeyFFSZYZXGXVOGJH-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.92
Rot. Bonds3

About 4-(1-ethylsulfonylpiperidin-4-yl)phenol

4-(1-ethylsulfonylpiperidin-4-yl)phenol (PubChem CID 54861048) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(1-ethylsulfonylpiperidin-4-yl)phenol.

Molecular Properties

Compound Name4-(1-ethylsulfonylpiperidin-4-yl)phenol
PubChem CID54861048
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-(1-ethylsulfonylpiperidin-4-yl)phenol
SMILESCCS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H19NO3S/c1-2-18(16,17)14-9-7-12(8-10-14)11-3-5-13(15)6-4-11/h3-6,12,15H,2,7-10H2,1H3
InChIKeyFFSZYZXGXVOGJH-UHFFFAOYSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylsulfonylpiperidin-4-yl)phenol?
The IUPAC name of 4-(1-ethylsulfonylpiperidin-4-yl)phenol (CID 54861048) is 4-(1-ethylsulfonylpiperidin-4-yl)phenol.
What is the SMILES notation for 4-(1-ethylsulfonylpiperidin-4-yl)phenol?
The canonical SMILES for 4-(1-ethylsulfonylpiperidin-4-yl)phenol is CCS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(1-ethylsulfonylpiperidin-4-yl)phenol?
The InChIKey is FFSZYZXGXVOGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-18(16,17)14-9-7-12(8-10-14)11-3-5-13(15)6-4-11/h3-6,12,15H,2,7-10H2,1H3.
What are the key properties of 4-(1-ethylsulfonylpiperidin-4-yl)phenol?
4-(1-ethylsulfonylpiperidin-4-yl)phenol has a molecular weight of 269.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylsulfonylpiperidin-4-yl)phenol is sourced from PubChem (CID 54861048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).