4-(4-ethylsulfonyl-1-fluorobutyl)piperidine

C11H22FNO2S — CID 112563811

IUPAC4-(4-ethylsulfonyl-1-fluorobutyl)piperidine
SMILESCCS(=O)(=O)CCCC(F)C1CCNCC1
InChIInChI=1S/C11H22FNO2S/c1-2-16(14,15)9-3-4-11(12)10-5-7-13-8-6-10/h10-11,13H,2-9H2,1H3
InChIKeyGDAVSTCSLWFZBP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.54
Rot. Bonds6

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

4-(4-ethylsulfonyl-1-fluorobutyl)piperidine (PubChem CID 112563811) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine.

Molecular Properties

Compound Name4-(4-ethylsulfonyl-1-fluorobutyl)piperidine
PubChem CID112563811
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name4-(4-ethylsulfonyl-1-fluorobutyl)piperidine
SMILESCCS(=O)(=O)CCCC(F)C1CCNCC1
InChIInChI=1S/C11H22FNO2S/c1-2-16(14,15)9-3-4-11(12)10-5-7-13-8-6-10/h10-11,13H,2-9H2,1H3
InChIKeyGDAVSTCSLWFZBP-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine?
The IUPAC name of 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine (CID 112563811) is 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine.
What is the SMILES notation for 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine?
The canonical SMILES for 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine is CCS(=O)(=O)CCCC(F)C1CCNCC1.
What is the InChIKey of 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine?
The InChIKey is GDAVSTCSLWFZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-2-16(14,15)9-3-4-11(12)10-5-7-13-8-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine?
4-(4-ethylsulfonyl-1-fluorobutyl)piperidine has a molecular weight of 251.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonyl-1-fluorobutyl)piperidine is sourced from PubChem (CID 112563811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).