2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate

C30H59NO2 — CID 21292162

IUPAC2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C30H59NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(32)33-24-23-31-29(3,4)25-27(2)26-30(31,5)6/h27H,7-26H2,1-6H3
InChIKeyAZQKOSSTCCLSBJ-UHFFFAOYSA-N
MW465.81 g/mol
LogP9.08
Rot. Bonds19

About 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate

2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate (PubChem CID 21292162) has the molecular formula C30H59NO2 and a molecular weight of 465.81 g/mol. Its IUPAC name is 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate.

Molecular Properties

Compound Name2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate
PubChem CID21292162
Molecular FormulaC30H59NO2
Molecular Weight465.81 g/mol
Exact Mass465.45
IUPAC Name2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C30H59NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(32)33-24-23-31-29(3,4)25-27(2)26-30(31,5)6/h27H,7-26H2,1-6H3
InChIKeyAZQKOSSTCCLSBJ-UHFFFAOYSA-N
XLogP9.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.81
LogP ≤ 59.08
H-Bond Donors ≤ 50
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-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate?
The IUPAC name of 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate (CID 21292162) is 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate.
What is the SMILES notation for 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate?
The canonical SMILES for 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCN1C(C)(C)CC(C)CC1(C)C.
What is the InChIKey of 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate?
The InChIKey is AZQKOSSTCCLSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(32)33-24-23-31-29(3,4)25-27(2)26-30(31,5)6/h27H,7-26H2,1-6H3.
What are the key properties of 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate?
2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate has a molecular weight of 465.81 g/mol, XLogP of 9.08, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,6,6-pentamethylpiperidin-1-yl)ethyl octadecanoate is sourced from PubChem (CID 21292162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).