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

C25H49NO2 — CID 22391830

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H49NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-20-24(2,3)26-25(4,5)21-22/h22,26H,6-21H2,1-5H3
InChIKeyYSSBODGKHOXDDC-UHFFFAOYSA-N
MW395.67 g/mol
LogP7.32
Rot. Bonds15

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

(2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate (PubChem CID 22391830) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate
PubChem CID22391830
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H49NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-20-24(2,3)26-25(4,5)21-22/h22,26H,6-21H2,1-5H3
InChIKeyYSSBODGKHOXDDC-UHFFFAOYSA-N
XLogP7.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate (CID 22391830) is (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate?
The InChIKey is YSSBODGKHOXDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-20-24(2,3)26-25(4,5)21-22/h22,26H,6-21H2,1-5H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) hexadecanoate has a molecular weight of 395.67 g/mol, XLogP of 7.32, 15 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) hexadecanoate is sourced from PubChem (CID 22391830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).