1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine

C13H18FNO3S — CID 110396981

IUPAC1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
SMILESCCS(=O)(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FNO3S/c1-2-19(16,17)15-9-7-13(8-10-15)18-12-5-3-11(14)4-6-12/h3-6,13H,2,7-10H2,1H3
InChIKeyRDGNECNBLBKSTK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.02
Rot. Bonds4

About 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine

1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine (PubChem CID 110396981) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
PubChem CID110396981
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
SMILESCCS(=O)(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FNO3S/c1-2-19(16,17)15-9-7-13(8-10-15)18-12-5-3-11(14)4-6-12/h3-6,13H,2,7-10H2,1H3
InChIKeyRDGNECNBLBKSTK-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 59794423
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396998
3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
CID 90566210
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110397007
(3S)-3-(4-fluorophenoxy)-1-(2-methylsulfonylphenyl)sulfonylpyrrolidine
CID 154843466
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
CID 99971665
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
CID 90558927
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
CID 118534613
1-ethyl-3-(4-fluorophenoxy)azetidine
CID 89379644

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine?
The IUPAC name of 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine (CID 110396981) is 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine.
What is the SMILES notation for 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine?
The canonical SMILES for 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine is CCS(=O)(=O)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine?
The InChIKey is RDGNECNBLBKSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-2-19(16,17)15-9-7-13(8-10-15)18-12-5-3-11(14)4-6-12/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine?
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine has a molecular weight of 287.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine is sourced from PubChem (CID 110396981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).