4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine

C14H20FNO2S — CID 122496668

IUPAC4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine
SMILESCc1cccc(S(=O)(=O)C(C)(F)C2CCNCC2)c1
InChIInChI=1S/C14H20FNO2S/c1-11-4-3-5-13(10-11)19(17,18)14(2,15)12-6-8-16-9-7-12/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyUAPXZFJWNGTMGL-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.45
Rot. Bonds3

About 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine

4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine (PubChem CID 122496668) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine
PubChem CID122496668
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine
SMILESCc1cccc(S(=O)(=O)C(C)(F)C2CCNCC2)c1
InChIInChI=1S/C14H20FNO2S/c1-11-4-3-5-13(10-11)19(17,18)14(2,15)12-6-8-16-9-7-12/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyUAPXZFJWNGTMGL-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine?
The IUPAC name of 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine (CID 122496668) is 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine is Cc1cccc(S(=O)(=O)C(C)(F)C2CCNCC2)c1.
What is the InChIKey of 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine?
The InChIKey is UAPXZFJWNGTMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-11-4-3-5-13(10-11)19(17,18)14(2,15)12-6-8-16-9-7-12/h3-5,10,12,16H,6-9H2,1-2H3.
What are the key properties of 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine?
4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine has a molecular weight of 285.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine is sourced from PubChem (CID 122496668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).