4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine

C11H20F3NO2S — CID 126647929

IUPAC4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine
SMILESCCC(C)(C)C1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-4-10(2,3)9-5-7-15(8-6-9)18(16,17)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyODRVFLIGDSZGMV-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.98
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine

4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 126647929) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine
PubChem CID126647929
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine
SMILESCCC(C)(C)C1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-4-10(2,3)9-5-7-15(8-6-9)18(16,17)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyODRVFLIGDSZGMV-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573076
N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573607
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
4,4-Difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine
CID 59634290
4-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 59862807
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
3,5-Diethyl-1-(trifluoromethylsulfonyl)piperidine
CID 67670672
4-Ethyl-1-(trifluoromethylsulfonyl)piperidine
CID 68261275

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine (CID 126647929) is 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine is CCC(C)(C)C1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is ODRVFLIGDSZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-4-10(2,3)9-5-7-15(8-6-9)18(16,17)11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine?
4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 287.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 126647929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).