1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol

C71H147N5O5 — CID 163496629

About 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol

1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol (PubChem CID 163496629) has the molecular formula C71H147N5O5 and a molecular weight of 1150.99 g/mol. Its IUPAC name is 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol.

Molecular Properties

• Compound Name: 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol
• PubChem CID: 163496629
• Molecular Formula: C71H147N5O5
• Molecular Weight: 1150.99 g/mol
• Exact Mass: 1150.14
• IUPAC Name: 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol
• SMILES: CCCCCCCCCCCCC(O)CN(CCN(CCN1CCN(CCN(CC(O)CCCCCCCCC)CC(O)CCCCCCCCCC)CC1)CC(O)CCCCCCCCCC)CC(O)CCCCCCCCCC
• InChI: InChI=1S/C71H147N5O5/c1-6-11-16-21-26-30-31-36-41-46-51-71(81)66-76(65-70(80)50-45-40-35-29-24-19-14-9-4)61-59-74(62-67(77)47-42-38-33-27-22-17-12-7-2)58-56-72-52-54-73(55-53-72)57-60-75(63-68(78)48-43-37-32-25-20-15-10-5)64-69(79)49-44-39-34-28-23-18-13-8-3/h67-71,77-81H,6-66H2,1-5H3
• InChIKey: NFXFLMAMXLFRCL-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 117.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 65
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.99
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol?

The IUPAC name of 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol (CID 163496629) is 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol.

What is the SMILES notation for 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol?

The canonical SMILES for 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol is CCCCCCCCCCCCC(O)CN(CCN(CCN1CCN(CCN(CC(O)CCCCCCCCC)CC(O)CCCCCCCCCC)CC1)CC(O)CCCCCCCCCC)CC(O)CCCCCCCCCC.

What is the InChIKey of 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol?

The InChIKey is NFXFLMAMXLFRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H147N5O5/c1-6-11-16-21-26-30-31-36-41-46-51-71(81)66-76(65-70(80)50-45-40-35-29-24-19-14-9-4)61-59-74(62-67(77)47-42-38-33-27-22-17-12-7-2)58-56-72-52-54-73(55-53-72)57-60-75(63-68(78)48-43-37-32-25-20-15-10-5)64-69(79)49-44-39-34-28-23-18-13-8-3/h67-71,77-81H,6-66H2,1-5H3.

What are the key properties of 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol?

1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol has a molecular weight of 1150.99 g/mol, XLogP of 16.36, 65 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol is sourced from PubChem (CID 163496629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).