4-[4-(methylsulfonylmethyl)phenyl]piperidine

C13H19NO2S — CID 117386723

IUPAC4-[4-(methylsulfonylmethyl)phenyl]piperidine
SMILESCS(=O)(=O)Cc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)10-11-2-4-12(5-3-11)13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3
InChIKeyVYPFYOFWTIQEQJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.70
Rot. Bonds3

About 4-[4-(methylsulfonylmethyl)phenyl]piperidine

4-[4-(methylsulfonylmethyl)phenyl]piperidine (PubChem CID 117386723) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[4-(methylsulfonylmethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[4-(methylsulfonylmethyl)phenyl]piperidine
PubChem CID117386723
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-[4-(methylsulfonylmethyl)phenyl]piperidine
SMILESCS(=O)(=O)Cc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)10-11-2-4-12(5-3-11)13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3
InChIKeyVYPFYOFWTIQEQJ-UHFFFAOYSA-N
XLogP1.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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US10233152, Example 128
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylsulfonylmethyl)phenyl]piperidine?
The IUPAC name of 4-[4-(methylsulfonylmethyl)phenyl]piperidine (CID 117386723) is 4-[4-(methylsulfonylmethyl)phenyl]piperidine.
What is the SMILES notation for 4-[4-(methylsulfonylmethyl)phenyl]piperidine?
The canonical SMILES for 4-[4-(methylsulfonylmethyl)phenyl]piperidine is CS(=O)(=O)Cc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-[4-(methylsulfonylmethyl)phenyl]piperidine?
The InChIKey is VYPFYOFWTIQEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17(15,16)10-11-2-4-12(5-3-11)13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3.
What are the key properties of 4-[4-(methylsulfonylmethyl)phenyl]piperidine?
4-[4-(methylsulfonylmethyl)phenyl]piperidine has a molecular weight of 253.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylsulfonylmethyl)phenyl]piperidine is sourced from PubChem (CID 117386723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).