4-[2-(4-fluorophenyl)sulfonylethyl]piperidine

C13H18FNO2S — CID 18187751

IUPAC4-[2-(4-fluorophenyl)sulfonylethyl]piperidine
SMILESO=S(=O)(CCC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c14-12-1-3-13(4-2-12)18(16,17)10-7-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2
InChIKeyBHUCNXNZLXVLTL-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.99
Rot. Bonds4

About 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine

4-[2-(4-fluorophenyl)sulfonylethyl]piperidine (PubChem CID 18187751) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfonylethyl]piperidine
PubChem CID18187751
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name4-[2-(4-fluorophenyl)sulfonylethyl]piperidine
SMILESO=S(=O)(CCC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c14-12-1-3-13(4-2-12)18(16,17)10-7-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2
InChIKeyBHUCNXNZLXVLTL-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine (CID 18187751) is 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine is O=S(=O)(CCC1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine?
The InChIKey is BHUCNXNZLXVLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c14-12-1-3-13(4-2-12)18(16,17)10-7-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2.
What are the key properties of 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine?
4-[2-(4-fluorophenyl)sulfonylethyl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine is sourced from PubChem (CID 18187751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).