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

C27H53NO2 — CID 14113416

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H53NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)30-24-22-26(2,3)28-27(4,5)23-24/h24,28H,6-23H2,1-5H3
InChIKeyJMUOXOJMXILBTE-UHFFFAOYSA-N
MW423.73 g/mol
LogP8.10
Rot. Bonds17

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

(2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate (PubChem CID 14113416) has the molecular formula C27H53NO2 and a molecular weight of 423.73 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate
PubChem CID14113416
Molecular FormulaC27H53NO2
Molecular Weight423.73 g/mol
Exact Mass423.41
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H53NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)30-24-22-26(2,3)28-27(4,5)23-24/h24,28H,6-23H2,1-5H3
InChIKeyJMUOXOJMXILBTE-UHFFFAOYSA-N
XLogP8.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 58.10
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) octadecanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate (CID 14113416) is (2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate?
The InChIKey is JMUOXOJMXILBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)30-24-22-26(2,3)28-27(4,5)23-24/h24,28H,6-23H2,1-5H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate has a molecular weight of 423.73 g/mol, XLogP of 8.10, 17 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) octadecanoate is sourced from PubChem (CID 14113416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).