1-(3-fluorophenyl)-4-methylsulfonylpiperidine

C12H16FNO2S — CID 138533528

IUPAC1-(3-fluorophenyl)-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C12H16FNO2S/c1-17(15,16)12-5-7-14(8-6-12)11-4-2-3-10(13)9-11/h2-4,9,12H,5-8H2,1H3
InChIKeyFEJLSZTVQRVMDF-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.84
Rot. Bonds2

About 1-(3-fluorophenyl)-4-methylsulfonylpiperidine

1-(3-fluorophenyl)-4-methylsulfonylpiperidine (PubChem CID 138533528) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-methylsulfonylpiperidine
PubChem CID138533528
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name1-(3-fluorophenyl)-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C12H16FNO2S/c1-17(15,16)12-5-7-14(8-6-12)11-4-2-3-10(13)9-11/h2-4,9,12H,5-8H2,1H3
InChIKeyFEJLSZTVQRVMDF-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-methylsulfonylpiperidine?
The IUPAC name of 1-(3-fluorophenyl)-4-methylsulfonylpiperidine (CID 138533528) is 1-(3-fluorophenyl)-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(3-fluorophenyl)-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(3-fluorophenyl)-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-4-methylsulfonylpiperidine?
The InChIKey is FEJLSZTVQRVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-17(15,16)12-5-7-14(8-6-12)11-4-2-3-10(13)9-11/h2-4,9,12H,5-8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-methylsulfonylpiperidine?
1-(3-fluorophenyl)-4-methylsulfonylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-methylsulfonylpiperidine is sourced from PubChem (CID 138533528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).