[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol

C12H16FNO3S — CID 43589615

IUPAC[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC(CO)C1
InChIInChI=1S/C12H16FNO3S/c13-11-4-1-5-12(7-11)18(16,17)14-6-2-3-10(8-14)9-15/h1,4-5,7,10,15H,2-3,6,8-9H2
InChIKeyRNIPACOIKOJWDV-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.22
Rot. Bonds3

About [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol

[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43589615) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43589615
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC(CO)C1
InChIInChI=1S/C12H16FNO3S/c13-11-4-1-5-12(7-11)18(16,17)14-6-2-3-10(8-14)9-15/h1,4-5,7,10,15H,2-3,6,8-9H2
InChIKeyRNIPACOIKOJWDV-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol (CID 43589615) is [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol is O=S(=O)(c1cccc(F)c1)N1CCCC(CO)C1.
What is the InChIKey of [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is RNIPACOIKOJWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-4-1-5-12(7-11)18(16,17)14-6-2-3-10(8-14)9-15/h1,4-5,7,10,15H,2-3,6,8-9H2.
What are the key properties of [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 273.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43589615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).