2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium

C64H119N8O10+ — CID 54121357

About 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium

2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium (PubChem CID 54121357) has the molecular formula C64H119N8O10+ and a molecular weight of 1160.70 g/mol. Its IUPAC name is 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
• PubChem CID: 54121357
• Molecular Formula: C64H119N8O10+
• Molecular Weight: 1160.70 g/mol
• Exact Mass: 1159.90
• IUPAC Name: 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
• SMILES: CN1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C64H119N8O10/c1-55(2)30-45(31-56(3,4)66(55)21)78-50(73)40-65-26-28-72(43-53(76)81-48-36-61(13,14)69(24)62(15,16)37-48,44-54(77)82-49-38-63(17,18)70(25)64(19,20)39-49)29-27-71(41-51(74)79-46-32-57(5,6)67(22)58(7,8)33-46)42-52(75)80-47-34-59(9,10)68(23)60(11,12)35-47/h45-49,65H,26-44H2,1-25H3/q+1
• InChIKey: HZJWHDZISLEFHW-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 162.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1160.70
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?

The IUPAC name of 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium (CID 54121357) is 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium.

What is the SMILES notation for 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?

The canonical SMILES for 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium is CN1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.

What is the InChIKey of 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?

The InChIKey is HZJWHDZISLEFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H119N8O10/c1-55(2)30-45(31-56(3,4)66(55)21)78-50(73)40-65-26-28-72(43-53(76)81-48-36-61(13,14)69(24)62(15,16)37-48,44-54(77)82-49-38-63(17,18)70(25)64(19,20)39-49)29-27-71(41-51(74)79-46-32-57(5,6)67(22)58(7,8)33-46)42-52(75)80-47-34-59(9,10)68(23)60(11,12)35-47/h45-49,65H,26-44H2,1-25H3/q+1.

What are the key properties of 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?

2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium has a molecular weight of 1160.70 g/mol, XLogP of 7.67, 21 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium is sourced from PubChem (CID 54121357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).