2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate

C70H136N2O6 — CID 21330434

IUPAC2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN1C(C)(CC)CC(OCCCCCCOC2CC(C)(CC)N(CCOC(=O)CCCCCCCCCCCCCCCCC)C(C)(CC)C2C)C(C)C1(C)CC
InChIInChI=1S/C70H136N2O6/c1-13-19-21-23-25-27-29-31-33-35-37-39-41-43-47-51-65(73)77-57-53-71-67(9,15-3)59-63(61(7)69(71,11)17-5)75-55-49-45-46-50-56-76-64-60-68(10,16-4)72(70(12,18-6)62(64)8)54-58-78-66(74)52-48-44-42-40-38-36-34-32-30-28-26-24-22-20-14-2/h61-64H,13-60H2,1-12H3
InChIKeyAGBKWVLLQCPCMD-UHFFFAOYSA-N
MW1101.87 g/mol
LogP20.28
Rot. Bonds51

About 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate

2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate (PubChem CID 21330434) has the molecular formula C70H136N2O6 and a molecular weight of 1101.87 g/mol. Its IUPAC name is 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate.

Molecular Properties

Compound Name2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate
PubChem CID21330434
Molecular FormulaC70H136N2O6
Molecular Weight1101.87 g/mol
Exact Mass1101.04
IUPAC Name2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN1C(C)(CC)CC(OCCCCCCOC2CC(C)(CC)N(CCOC(=O)CCCCCCCCCCCCCCCCC)C(C)(CC)C2C)C(C)C1(C)CC
InChIInChI=1S/C70H136N2O6/c1-13-19-21-23-25-27-29-31-33-35-37-39-41-43-47-51-65(73)77-57-53-71-67(9,15-3)59-63(61(7)69(71,11)17-5)75-55-49-45-46-50-56-76-64-60-68(10,16-4)72(70(12,18-6)62(64)8)54-58-78-66(74)52-48-44-42-40-38-36-34-32-30-28-26-24-22-20-14-2/h61-64H,13-60H2,1-12H3
InChIKeyAGBKWVLLQCPCMD-UHFFFAOYSA-N
XLogP20.28
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds51
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.87
LogP ≤ 520.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate 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-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate?
The IUPAC name of 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate (CID 21330434) is 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate.
What is the SMILES notation for 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate?
The canonical SMILES for 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCN1C(C)(CC)CC(OCCCCCCOC2CC(C)(CC)N(CCOC(=O)CCCCCCCCCCCCCCCCC)C(C)(CC)C2C)C(C)C1(C)CC.
What is the InChIKey of 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate?
The InChIKey is AGBKWVLLQCPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H136N2O6/c1-13-19-21-23-25-27-29-31-33-35-37-39-41-43-47-51-65(73)77-57-53-71-67(9,15-3)59-63(61(7)69(71,11)17-5)75-55-49-45-46-50-56-76-64-60-68(10,16-4)72(70(12,18-6)62(64)8)54-58-78-66(74)52-48-44-42-40-38-36-34-32-30-28-26-24-22-20-14-2/h61-64H,13-60H2,1-12H3.
What are the key properties of 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate?
2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate has a molecular weight of 1101.87 g/mol, XLogP of 20.28, 51 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[2,6-diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate is sourced from PubChem (CID 21330434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).