2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium

C119H219N8O15+ — CID 54265732

About 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium

2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium (PubChem CID 54265732) has the molecular formula C119H219N8O15+ and a molecular weight of 2002.10 g/mol. Its IUPAC name is 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium
• PubChem CID: 54265732
• Molecular Formula: C119H219N8O15+
• Molecular Weight: 2002.10 g/mol
• Exact Mass: 2000.66
• IUPAC Name: 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium
• SMILES: CCCCCCCCCCCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCC)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCC)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C119H219N8O15/c1-26-31-36-41-46-51-56-61-66-71-100(128)122-110(6,7)80-95(81-111(122,8)9)138-105(133)90-120-76-78-127(93-108(136)141-98-86-116(18,19)125(117(20,21)87-98)103(131)74-69-64-59-54-49-44-39-34-29-4,94-109(137)142-99-88-118(22,23)126(119(24,25)89-99)104(132)75-70-65-60-55-50-45-40-35-30-5)79-77-121(91-106(134)139-96-82-112(10,11)123(113(12,13)83-96)101(129)72-67-62-57-52-47-42-37-32-27-2)92-107(135)140-97-84-114(14,15)124(115(16,17)85-97)102(130)73-68-63-58-53-48-43-38-33-28-3/h95-99,120H,26-94H2,1-25H3/q+1
• InChIKey: OFBCRMNSWXGQSH-UHFFFAOYSA-N
• XLogP: 26.76
• TPSA: 248.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 71
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2002.10
LogP ≤ 5	26.76
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-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium?

The IUPAC name of 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium (CID 54265732) is 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium.

What is the SMILES notation for 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium?

The canonical SMILES for 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium is CCCCCCCCCCCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCC)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCC)C(C)(C)C2)CC1(C)C.

What is the InChIKey of 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium?

The InChIKey is OFBCRMNSWXGQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H219N8O15/c1-26-31-36-41-46-51-56-61-66-71-100(128)122-110(6,7)80-95(81-111(122,8)9)138-105(133)90-120-76-78-127(93-108(136)141-98-86-116(18,19)125(117(20,21)87-98)103(131)74-69-64-59-54-49-44-39-34-29-4,94-109(137)142-99-88-118(22,23)126(119(24,25)89-99)104(132)75-70-65-60-55-50-45-40-35-30-5)79-77-121(91-106(134)139-96-82-112(10,11)123(113(12,13)83-96)101(129)72-67-62-57-52-47-42-37-32-27-2)92-107(135)140-97-84-114(14,15)124(115(16,17)85-97)102(130)73-68-63-58-53-48-43-38-33-28-3/h95-99,120H,26-94H2,1-25H3/q+1.

What are the key properties of 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium?

2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium has a molecular weight of 2002.10 g/mol, XLogP of 26.76, 71 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-dodecanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium is sourced from PubChem (CID 54265732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).