4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine

C15H20FNO2S — CID 174479309

IUPAC4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine
SMILESO=S(=O)(CC(F)=CCc1ccccc1)C1CCNCC1
InChIInChI=1S/C15H20FNO2S/c16-14(7-6-13-4-2-1-3-5-13)12-20(18,19)15-8-10-17-11-9-15/h1-5,7,15,17H,6,8-12H2
InChIKeyOKYHTZCDGNBBDE-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.25
Rot. Bonds5

About 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine

4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine (PubChem CID 174479309) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine
PubChem CID174479309
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC Name4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine
SMILESO=S(=O)(CC(F)=CCc1ccccc1)C1CCNCC1
InChIInChI=1S/C15H20FNO2S/c16-14(7-6-13-4-2-1-3-5-13)12-20(18,19)15-8-10-17-11-9-15/h1-5,7,15,17H,6,8-12H2
InChIKeyOKYHTZCDGNBBDE-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine?
The IUPAC name of 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine (CID 174479309) is 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine?
The canonical SMILES for 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine is O=S(=O)(CC(F)=CCc1ccccc1)C1CCNCC1.
What is the InChIKey of 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine?
The InChIKey is OKYHTZCDGNBBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c16-14(7-6-13-4-2-1-3-5-13)12-20(18,19)15-8-10-17-11-9-15/h1-5,7,15,17H,6,8-12H2.
What are the key properties of 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine?
4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine has a molecular weight of 297.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-phenylbut-2-enyl)sulfonylpiperidine is sourced from PubChem (CID 174479309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).