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

C15H27F3N2O — CID 79914543

IUPAC2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESCC1(C)OC(C)(C)C(CN2CCCC(C(F)(F)F)C2)C1N
InChIInChI=1S/C15H27F3N2O/c1-13(2)11(12(19)14(3,4)21-13)9-20-7-5-6-10(8-20)15(16,17)18/h10-12H,5-9,19H2,1-4H3
InChIKeyGFNXFNJUCAYNAV-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.79
Rot. Bonds2

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

2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (PubChem CID 79914543) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
PubChem CID79914543
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESCC1(C)OC(C)(C)C(CN2CCCC(C(F)(F)F)C2)C1N
InChIInChI=1S/C15H27F3N2O/c1-13(2)11(12(19)14(3,4)21-13)9-20-7-5-6-10(8-20)15(16,17)18/h10-12H,5-9,19H2,1-4H3
InChIKeyGFNXFNJUCAYNAV-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (CID 79914543) is 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is CC1(C)OC(C)(C)C(CN2CCCC(C(F)(F)F)C2)C1N.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The InChIKey is GFNXFNJUCAYNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-13(2)11(12(19)14(3,4)21-13)9-20-7-5-6-10(8-20)15(16,17)18/h10-12H,5-9,19H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine has a molecular weight of 308.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 79914543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).