1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine

C16H25NO2S — CID 166005479

IUPAC1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine
SMILESCC(C)(C)c1ccc(S(C)(=O)=O)c(N2CCCCC2)c1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)13-8-9-15(20(4,18)19)14(12-13)17-10-6-5-7-11-17/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyFWPGOJWJVXOVFX-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.38
Rot. Bonds2

About 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine

1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine (PubChem CID 166005479) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine
PubChem CID166005479
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine
SMILESCC(C)(C)c1ccc(S(C)(=O)=O)c(N2CCCCC2)c1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)13-8-9-15(20(4,18)19)14(12-13)17-10-6-5-7-11-17/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyFWPGOJWJVXOVFX-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfonyl-5-nitrophenyl)pyrrolidine
CID 75486201
1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine
CID 168515392
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
2-[[3-(azepan-1-yl)-4-methylsulfonylanilino]methylidene]propanedinitrile
CID 168544220
1-(3-bromo-4-methylsulfonylphenyl)piperidine
CID 169336524
3-(4-methylsulfonyl-3-piperidin-1-ylanilino)propane-1,2-diol
CID 168594715
1-(4-tert-butyl-2-phenylphenyl)pyrrolidine
CID 168512270
2-(4-methylsulfonyl-3-pyrrolidin-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168609719
4-tert-butyl-1-methyl-2-methylsulfonylbenzene
CID 123141469
6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one
CID 138655315
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 145473250

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine?
The IUPAC name of 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine (CID 166005479) is 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine?
The canonical SMILES for 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine is CC(C)(C)c1ccc(S(C)(=O)=O)c(N2CCCCC2)c1.
What is the InChIKey of 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine?
The InChIKey is FWPGOJWJVXOVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(2,3)13-8-9-15(20(4,18)19)14(12-13)17-10-6-5-7-11-17/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine?
1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine has a molecular weight of 295.45 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 166005479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).