4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine

C18H29NO2S — CID 163441854

IUPAC4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)CCCN2CCC(C)CC2)c(C)c1
InChIInChI=1S/C18H29NO2S/c1-14-6-9-19(10-7-14)8-5-11-22(20,21)18-16(3)12-15(2)13-17(18)4/h12-14H,5-11H2,1-4H3
InChIKeyAZFXYGQFIRECSS-UHFFFAOYSA-N
MW323.50 g/mol
LogP3.51
Rot. Bonds5

About 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine

4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine (PubChem CID 163441854) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine
PubChem CID163441854
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC Name4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)CCCN2CCC(C)CC2)c(C)c1
InChIInChI=1S/C18H29NO2S/c1-14-6-9-19(10-7-14)8-5-11-22(20,21)18-16(3)12-15(2)13-17(18)4/h12-14H,5-11H2,1-4H3
InChIKeyAZFXYGQFIRECSS-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
[4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine
CID 21260407
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
CID 16616243
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 16616242
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 17461365
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 95753283
1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
CID 82485339
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2269669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine?
The IUPAC name of 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine (CID 163441854) is 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine.
What is the SMILES notation for 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine?
The canonical SMILES for 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine is Cc1cc(C)c(S(=O)(=O)CCCN2CCC(C)CC2)c(C)c1.
What is the InChIKey of 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine?
The InChIKey is AZFXYGQFIRECSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2S/c1-14-6-9-19(10-7-14)8-5-11-22(20,21)18-16(3)12-15(2)13-17(18)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine?
4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine has a molecular weight of 323.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine is sourced from PubChem (CID 163441854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).