(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate

C24H39NO3 — CID 21406082

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate
SMILESCC1(C)CC(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC(C)(C)N1
InChIInChI=1S/C24H39NO3/c1-21(2,3)15-11-17(19(26)18(12-15)22(4,5)6)20(27)28-16-13-23(7,8)25-24(9,10)14-16/h11-12,16,25-26H,13-14H2,1-10H3
InChIKeyXJBBQCUQBREPHY-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.45
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate

(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate (PubChem CID 21406082) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate
PubChem CID21406082
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate
SMILESCC1(C)CC(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC(C)(C)N1
InChIInChI=1S/C24H39NO3/c1-21(2,3)15-11-17(19(26)18(12-15)22(4,5)6)20(27)28-16-13-23(7,8)25-24(9,10)14-16/h11-12,16,25-26H,13-14H2,1-10H3
InChIKeyXJBBQCUQBREPHY-UHFFFAOYSA-N
XLogP5.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate (CID 21406082) is (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate is CC1(C)CC(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate?
The InChIKey is XJBBQCUQBREPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-21(2,3)15-11-17(19(26)18(12-15)22(4,5)6)20(27)28-16-13-23(7,8)25-24(9,10)14-16/h11-12,16,25-26H,13-14H2,1-10H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate has a molecular weight of 389.58 g/mol, XLogP of 5.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-2-hydroxybenzoate is sourced from PubChem (CID 21406082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).