4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine

C20H25NO3S — CID 71561956

IUPAC4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(OC3CCNCC3)cc2)c(C)c1
InChIInChI=1S/C20H25NO3S/c1-14-12-15(2)20(16(3)13-14)25(22,23)19-6-4-17(5-7-19)24-18-8-10-21-11-9-18/h4-7,12-13,18,21H,8-11H2,1-3H3
InChIKeyREYDJSAJBYOGQA-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.58
Rot. Bonds4

About 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine

4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine (PubChem CID 71561956) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine.

Molecular Properties

Compound Name4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine
PubChem CID71561956
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(OC3CCNCC3)cc2)c(C)c1
InChIInChI=1S/C20H25NO3S/c1-14-12-15(2)20(16(3)13-14)25(22,23)19-6-4-17(5-7-19)24-18-8-10-21-11-9-18/h4-7,12-13,18,21H,8-11H2,1-3H3
InChIKeyREYDJSAJBYOGQA-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine?
The IUPAC name of 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine (CID 71561956) is 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine.
What is the SMILES notation for 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine?
The canonical SMILES for 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine is Cc1cc(C)c(S(=O)(=O)c2ccc(OC3CCNCC3)cc2)c(C)c1.
What is the InChIKey of 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine?
The InChIKey is REYDJSAJBYOGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14-12-15(2)20(16(3)13-14)25(22,23)19-6-4-17(5-7-19)24-18-8-10-21-11-9-18/h4-7,12-13,18,21H,8-11H2,1-3H3.
What are the key properties of 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine?
4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine has a molecular weight of 359.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4,6-trimethylphenyl)sulfonylphenoxy]piperidine is sourced from PubChem (CID 71561956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).