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

C24H39NO3 — CID 71215372

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate
SMILESCCCCc1cc(C(=O)OC2CC(C)(C)NC(C)(C)C2)cc(CCCC)c1O
InChIInChI=1S/C24H39NO3/c1-7-9-11-17-13-19(14-18(21(17)26)12-10-8-2)22(27)28-20-15-23(3,4)25-24(5,6)16-20/h13-14,20,25-26H,7-12,15-16H2,1-6H3
InChIKeyPARARHPTUVWDKL-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.54
Rot. Bonds8

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

(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate (PubChem CID 71215372) 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-dibutyl-4-hydroxybenzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate
PubChem CID71215372
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate
SMILESCCCCc1cc(C(=O)OC2CC(C)(C)NC(C)(C)C2)cc(CCCC)c1O
InChIInChI=1S/C24H39NO3/c1-7-9-11-17-13-19(14-18(21(17)26)12-10-8-2)22(27)28-20-15-23(3,4)25-24(5,6)16-20/h13-14,20,25-26H,7-12,15-16H2,1-6H3
InChIKeyPARARHPTUVWDKL-UHFFFAOYSA-N
XLogP5.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.54
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-dibutyl-4-hydroxybenzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate (CID 71215372) is (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate is CCCCc1cc(C(=O)OC2CC(C)(C)NC(C)(C)C2)cc(CCCC)c1O.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate?
The InChIKey is PARARHPTUVWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-7-9-11-17-13-19(14-18(21(17)26)12-10-8-2)22(27)28-20-15-23(3,4)25-24(5,6)16-20/h13-14,20,25-26H,7-12,15-16H2,1-6H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dibutyl-4-hydroxybenzoate has a molecular weight of 389.58 g/mol, XLogP of 5.54, 8 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-dibutyl-4-hydroxybenzoate is sourced from PubChem (CID 71215372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).