4-(4-fluorophenyl)-1-methylsulfonylpiperidine

C12H16FNO2S — CID 23133545

IUPAC4-(4-fluorophenyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNO2S/c1-17(15,16)14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyNXKTUUPSINAQEA-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.96
Rot. Bonds2

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

4-(4-fluorophenyl)-1-methylsulfonylpiperidine (PubChem CID 23133545) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methylsulfonylpiperidine
PubChem CID23133545
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-(4-fluorophenyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNO2S/c1-17(15,16)14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyNXKTUUPSINAQEA-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-1-methylsulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)-1-methylsulfonylpiperidine (CID 23133545) is 4-(4-fluorophenyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methylsulfonylpiperidine?
The InChIKey is NXKTUUPSINAQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-17(15,16)14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-5,11H,6-9H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-methylsulfonylpiperidine?
4-(4-fluorophenyl)-1-methylsulfonylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 23133545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).