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

C22H36N2O2S — CID 118308350

IUPAC4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C(C)C)CC3)CC2)c(C)c1
InChIInChI=1S/C22H36N2O2S/c1-16(2)20-6-10-23(11-7-20)21-8-12-24(13-9-21)27(25,26)22-18(4)14-17(3)15-19(22)5/h14-16,20-21H,6-13H2,1-5H3
InChIKeyGFMXODPGGRKPBL-UHFFFAOYSA-N
MW392.61 g/mol
LogP4.13
Rot. Bonds4

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

4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 118308350) has the molecular formula C22H36N2O2S and a molecular weight of 392.61 g/mol. Its IUPAC name is 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID118308350
Molecular FormulaC22H36N2O2S
Molecular Weight392.61 g/mol
Exact Mass392.25
IUPAC Name4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C(C)C)CC3)CC2)c(C)c1
InChIInChI=1S/C22H36N2O2S/c1-16(2)20-6-10-23(11-7-20)21-8-12-24(13-9-21)27(25,26)22-18(4)14-17(3)15-19(22)5/h14-16,20-21H,6-13H2,1-5H3
InChIKeyGFMXODPGGRKPBL-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.61
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
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
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (CID 118308350) is 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C(C)C)CC3)CC2)c(C)c1.
What is the InChIKey of 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is GFMXODPGGRKPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2S/c1-16(2)20-6-10-23(11-7-20)21-8-12-24(13-9-21)27(25,26)22-18(4)14-17(3)15-19(22)5/h14-16,20-21H,6-13H2,1-5H3.
What are the key properties of 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 392.61 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 118308350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).