2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate

C26H51NO2 — CID 22754609

IUPAC2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCN1C(C)(CC)CCC(C)C1(C)CC
InChIInChI=1S/C26H51NO2/c1-7-10-11-12-13-14-15-16-17-18-24(28)29-22-21-27-25(5,8-2)20-19-23(4)26(27,6)9-3/h23H,7-22H2,1-6H3
InChIKeyBVSBIVREVNYNDH-UHFFFAOYSA-N
MW409.70 g/mol
LogP7.52
Rot. Bonds15

About 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate

2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate (PubChem CID 22754609) has the molecular formula C26H51NO2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate.

Molecular Properties

Compound Name2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate
PubChem CID22754609
Molecular FormulaC26H51NO2
Molecular Weight409.70 g/mol
Exact Mass409.39
IUPAC Name2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCN1C(C)(CC)CCC(C)C1(C)CC
InChIInChI=1S/C26H51NO2/c1-7-10-11-12-13-14-15-16-17-18-24(28)29-22-21-27-25(5,8-2)20-19-23(4)26(27,6)9-3/h23H,7-22H2,1-6H3
InChIKeyBVSBIVREVNYNDH-UHFFFAOYSA-N
XLogP7.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 57.52
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-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate?
The IUPAC name of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate (CID 22754609) is 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate.
What is the SMILES notation for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate?
The canonical SMILES for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate is CCCCCCCCCCCC(=O)OCCN1C(C)(CC)CCC(C)C1(C)CC.
What is the InChIKey of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate?
The InChIKey is BVSBIVREVNYNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO2/c1-7-10-11-12-13-14-15-16-17-18-24(28)29-22-21-27-25(5,8-2)20-19-23(4)26(27,6)9-3/h23H,7-22H2,1-6H3.
What are the key properties of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate?
2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate has a molecular weight of 409.70 g/mol, XLogP of 7.52, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate is sourced from PubChem (CID 22754609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).