(1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate

C13H22F3NO2 — CID 58663348

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate
SMILESCN1C(C)(C)CC(OC(=O)CC(F)(F)F)CC1(C)C
InChIInChI=1S/C13H22F3NO2/c1-11(2)6-9(7-12(3,4)17(11)5)19-10(18)8-13(14,15)16/h9H,6-8H2,1-5H3
InChIKeyQURAQOFMLILFFR-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.13
Rot. Bonds2

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

(1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate (PubChem CID 58663348) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate
PubChem CID58663348
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate
SMILESCN1C(C)(C)CC(OC(=O)CC(F)(F)F)CC1(C)C
InChIInChI=1S/C13H22F3NO2/c1-11(2)6-9(7-12(3,4)17(11)5)19-10(18)8-13(14,15)16/h9H,6-8H2,1-5H3
InChIKeyQURAQOFMLILFFR-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate (CID 58663348) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate is CN1C(C)(C)CC(OC(=O)CC(F)(F)F)CC1(C)C.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate?
The InChIKey is QURAQOFMLILFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-11(2)6-9(7-12(3,4)17(11)5)19-10(18)8-13(14,15)16/h9H,6-8H2,1-5H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate has a molecular weight of 281.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3,3-trifluoropropanoate is sourced from PubChem (CID 58663348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).