4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine

C21H27NO2S — CID 146628828

IUPAC4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(N3CCC(C)CC3)cc2)c(C)c1
InChIInChI=1S/C21H27NO2S/c1-15-9-11-22(12-10-15)19-5-7-20(8-6-19)25(23,24)21-17(3)13-16(2)14-18(21)4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyWUALXRUVCKJNKV-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.68
Rot. Bonds3

About 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine

4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine (PubChem CID 146628828) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine
PubChem CID146628828
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(N3CCC(C)CC3)cc2)c(C)c1
InChIInChI=1S/C21H27NO2S/c1-15-9-11-22(12-10-15)19-5-7-20(8-6-19)25(23,24)21-17(3)13-16(2)14-18(21)4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyWUALXRUVCKJNKV-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine?
The IUPAC name of 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine (CID 146628828) is 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine.
What is the SMILES notation for 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine?
The canonical SMILES for 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine is Cc1cc(C)c(S(=O)(=O)c2ccc(N3CCC(C)CC3)cc2)c(C)c1.
What is the InChIKey of 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine?
The InChIKey is WUALXRUVCKJNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-15-9-11-22(12-10-15)19-5-7-20(8-6-19)25(23,24)21-17(3)13-16(2)14-18(21)4/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine?
4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine has a molecular weight of 357.52 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]piperidine is sourced from PubChem (CID 146628828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).