1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol

C53H110N4O — CID 58527607

About 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol

1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol (PubChem CID 58527607) has the molecular formula C53H110N4O and a molecular weight of 819.49 g/mol. Its IUPAC name is 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol
• PubChem CID: 58527607
• Molecular Formula: C53H110N4O
• Molecular Weight: 819.49 g/mol
• Exact Mass: 818.87
• IUPAC Name: 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol
• SMILES: CCCCCCCCCCC(O)CN(CCN1CCCCC1)CCN(CCCCCCCCCC)CCN(CCCCCCCCCC)CCCCCCCCCC
• InChI: InChI=1S/C53H110N4O/c1-5-9-13-17-21-25-29-34-40-53(58)52-57(50-48-55-43-38-33-39-44-55)51-49-56(45-37-32-28-24-20-16-12-8-4)47-46-54(41-35-30-26-22-18-14-10-6-2)42-36-31-27-23-19-15-11-7-3/h53,58H,5-52H2,1-4H3
• InChIKey: DGPZORKARYQLNO-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 33.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 47
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.49
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol?

The IUPAC name of 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol (CID 58527607) is 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol.

What is the SMILES notation for 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol?

The canonical SMILES for 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol is CCCCCCCCCCC(O)CN(CCN1CCCCC1)CCN(CCCCCCCCCC)CCN(CCCCCCCCCC)CCCCCCCCCC.

What is the InChIKey of 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol?

The InChIKey is DGPZORKARYQLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H110N4O/c1-5-9-13-17-21-25-29-34-40-53(58)52-57(50-48-55-43-38-33-39-44-55)51-49-56(45-37-32-28-24-20-16-12-8-4)47-46-54(41-35-30-26-22-18-14-10-6-2)42-36-31-27-23-19-15-11-7-3/h53,58H,5-52H2,1-4H3.

What are the key properties of 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol?

1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol has a molecular weight of 819.49 g/mol, XLogP of 14.69, 47 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol is sourced from PubChem (CID 58527607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).