2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one

C15H24F3NO2 — CID 79915591

IUPAC2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCC(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C15H24F3NO2/c1-13(2)11(12(20)14(3,4)21-13)9-19-7-5-10(6-8-19)15(16,17)18/h10-11H,5-9H2,1-4H3
InChIKeyUFHGZKKXZHFGAI-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.03
Rot. Bonds2

About 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one (PubChem CID 79915591) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one
PubChem CID79915591
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCC(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C15H24F3NO2/c1-13(2)11(12(20)14(3,4)21-13)9-19-7-5-10(6-8-19)15(16,17)18/h10-11H,5-9H2,1-4H3
InChIKeyUFHGZKKXZHFGAI-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,5-Tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one
CID 79915480
2,2,5,5-Tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one
CID 79930259
2,2,5,5-Tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
CID 79933344
2,2,5,5-Tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
CID 79933345
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933569
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933677
2,2,5,5-Tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
CID 79933874
4-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 107486377
4-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 107486415
4-[[2,2-Difluoroethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 116317523
4-[[(1-Ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79913012
4-[(4-Tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79913562

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one (CID 79915591) is 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one is CC1(C)OC(C)(C)C(CN2CCC(C(F)(F)F)CC2)C1=O.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one?
The InChIKey is UFHGZKKXZHFGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c1-13(2)11(12(20)14(3,4)21-13)9-19-7-5-10(6-8-19)15(16,17)18/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one has a molecular weight of 307.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-one is sourced from PubChem (CID 79915591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).