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

C20H32N2O2S — CID 91664325

IUPAC4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(C)c1
InChIInChI=1S/C20H32N2O2S/c1-15-5-9-21(10-6-15)19-7-11-22(12-8-19)25(23,24)20-17(3)13-16(2)14-18(20)4/h13-15,19H,5-12H2,1-4H3
InChIKeyMWRLQEZPMWQSMV-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.50
Rot. Bonds3

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

4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 91664325) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID91664325
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(C)c1
InChIInChI=1S/C20H32N2O2S/c1-15-5-9-21(10-6-15)19-7-11-22(12-8-19)25(23,24)20-17(3)13-16(2)14-18(20)4/h13-15,19H,5-12H2,1-4H3
InChIKeyMWRLQEZPMWQSMV-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
4-Adamantanyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperazine
CID 4025879
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]azepane
CID 118308375
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393
4-Benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308406
3,5-Dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308408

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (CID 91664325) is 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(C)c1.
What is the InChIKey of 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is MWRLQEZPMWQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-15-5-9-21(10-6-15)19-7-11-22(12-8-19)25(23,24)20-17(3)13-16(2)14-18(20)4/h13-15,19H,5-12H2,1-4H3.
What are the key properties of 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 364.56 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 91664325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).