4-methyl-1-(trifluoromethylsulfonyl)piperidine

C7H12F3NO2S — CID 59862807

IUPAC4-methyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO2S/c1-6-2-4-11(5-3-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3
InChIKeyWWAHQLJHJRHSBJ-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.57
Rot. Bonds1

About 4-methyl-1-(trifluoromethylsulfonyl)piperidine

4-methyl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 59862807) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 4-methyl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID59862807
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name4-methyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO2S/c1-6-2-4-11(5-3-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3
InChIKeyWWAHQLJHJRHSBJ-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 4-methyl-1-(trifluoromethylsulfonyl)piperidine (CID 59862807) is 4-methyl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 4-methyl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 4-methyl-1-(trifluoromethylsulfonyl)piperidine is CC1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is WWAHQLJHJRHSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-6-2-4-11(5-3-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 4-methyl-1-(trifluoromethylsulfonyl)piperidine?
4-methyl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 231.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 59862807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).