(2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate

C21H41NO2 — CID 14032152

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate
SMILESCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H41NO2/c1-6-7-8-9-10-11-12-13-14-15-19(23)24-18-16-20(2,3)22-21(4,5)17-18/h18,22H,6-17H2,1-5H3
InChIKeyXVKKTGPETSQMSD-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.76
Rot. Bonds11

About (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate

(2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate (PubChem CID 14032152) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate
PubChem CID14032152
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate
SMILESCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H41NO2/c1-6-7-8-9-10-11-12-13-14-15-19(23)24-18-16-20(2,3)22-21(4,5)17-18/h18,22H,6-17H2,1-5H3
InChIKeyXVKKTGPETSQMSD-UHFFFAOYSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate (CID 14032152) is (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate is CCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate?
The InChIKey is XVKKTGPETSQMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-6-7-8-9-10-11-12-13-14-15-19(23)24-18-16-20(2,3)22-21(4,5)17-18/h18,22H,6-17H2,1-5H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate has a molecular weight of 339.56 g/mol, XLogP of 5.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) dodecanoate is sourced from PubChem (CID 14032152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).