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

C26H36N2O2S — CID 118308406

IUPAC4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(Cc4ccccc4)CC3)CC2)c(C)c1
InChIInChI=1S/C26H36N2O2S/c1-20-17-21(2)26(22(3)18-20)31(29,30)28-15-11-25(12-16-28)27-13-9-24(10-14-27)19-23-7-5-4-6-8-23/h4-8,17-18,24-25H,9-16,19H2,1-3H3
InChIKeyYEDNVEAGRNBTMF-UHFFFAOYSA-N
MW440.65 g/mol
LogP4.72
Rot. Bonds5

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

4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 118308406) has the molecular formula C26H36N2O2S and a molecular weight of 440.65 g/mol. Its IUPAC name is 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID118308406
Molecular FormulaC26H36N2O2S
Molecular Weight440.65 g/mol
Exact Mass440.25
IUPAC Name4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(Cc4ccccc4)CC3)CC2)c(C)c1
InChIInChI=1S/C26H36N2O2S/c1-20-17-21(2)26(22(3)18-20)31(29,30)28-15-11-25(12-16-28)27-13-9-24(10-14-27)19-23-7-5-4-6-8-23/h4-8,17-18,24-25H,9-16,19H2,1-3H3
InChIKeyYEDNVEAGRNBTMF-UHFFFAOYSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.65
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
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-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
4-Adamantanyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperazine
CID 4025879
N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
CID 478308
[2-(3-Ethylphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479859
[2-(3,5-Dimethylphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479868
Methyl[2-(3-methylphenyl)-4-(4-phenylpiperidyl)butyl](phenylsulfonyl)amine
CID 479883
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-(1-naphthalenylsulfonyl)-piperidine
CID 10597140

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (CID 118308406) is 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(Cc4ccccc4)CC3)CC2)c(C)c1.
What is the InChIKey of 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is YEDNVEAGRNBTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2S/c1-20-17-21(2)26(22(3)18-20)31(29,30)28-15-11-25(12-16-28)27-13-9-24(10-14-27)19-23-7-5-4-6-8-23/h4-8,17-18,24-25H,9-16,19H2,1-3H3.
What are the key properties of 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 440.65 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 118308406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).