(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate

C12H20F3NO3 — CID 91520849

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate
SMILESCC1(C)CC(OC(=O)CC(F)(F)F)CC(C)(C)N1O
InChIInChI=1S/C12H20F3NO3/c1-10(2)5-8(6-11(3,4)16(10)18)19-9(17)7-12(13,14)15/h8,18H,5-7H2,1-4H3
InChIKeyWDOZWFWSFGQPMB-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.89
Rot. Bonds2

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate (PubChem CID 91520849) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate
PubChem CID91520849
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate
SMILESCC1(C)CC(OC(=O)CC(F)(F)F)CC(C)(C)N1O
InChIInChI=1S/C12H20F3NO3/c1-10(2)5-8(6-11(3,4)16(10)18)19-9(17)7-12(13,14)15/h8,18H,5-7H2,1-4H3
InChIKeyWDOZWFWSFGQPMB-UHFFFAOYSA-N
XLogP2.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate (CID 91520849) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate is CC1(C)CC(OC(=O)CC(F)(F)F)CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate?
The InChIKey is WDOZWFWSFGQPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-10(2)5-8(6-11(3,4)16(10)18)19-9(17)7-12(13,14)15/h8,18H,5-7H2,1-4H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate has a molecular weight of 283.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,3,3-trifluoropropanoate is sourced from PubChem (CID 91520849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).