(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium

C43H87N5O6P3+ — CID 54006177

About (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium

(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium (PubChem CID 54006177) has the molecular formula C43H87N5O6P3+ and a molecular weight of 863.12 g/mol. Its IUPAC name is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium.

Molecular Properties

• Compound Name: (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium
• PubChem CID: 54006177
• Molecular Formula: C43H87N5O6P3+
• Molecular Weight: 863.12 g/mol
• Exact Mass: 862.59
• IUPAC Name: (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium
• SMILES: CCC1(C)CC(N(CC[N+](CCNP2OCC(C)(C)CO2)(C2CC(C)(CC)NC(C)(CC)C2C)P2OCC(C)(C)CO2)P2OCC(C)(C)CO2)C(C)C(C)(CC)N1
• InChI: InChI=1S/C43H87N5O6P3/c1-17-40(13)25-35(33(5)42(15,19-3)45-40)47(56-51-29-38(9,10)30-52-56)22-24-48(57-53-31-39(11,12)32-54-57,23-21-44-55-49-27-37(7,8)28-50-55)36-26-41(14,18-2)46-43(16,20-4)34(36)6/h33-36,44-46H,17-32H2,1-16H3/q+1
• InChIKey: JEBLXQATVITAMC-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 94.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.12
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium?

The IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium (CID 54006177) is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium.

What is the SMILES notation for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium?

The canonical SMILES for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium is CCC1(C)CC(N(CC[N+](CCNP2OCC(C)(C)CO2)(C2CC(C)(CC)NC(C)(CC)C2C)P2OCC(C)(C)CO2)P2OCC(C)(C)CO2)C(C)C(C)(CC)N1.

What is the InChIKey of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium?

The InChIKey is JEBLXQATVITAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H87N5O6P3/c1-17-40(13)25-35(33(5)42(15,19-3)45-40)47(56-51-29-38(9,10)30-52-56)22-24-48(57-53-31-39(11,12)32-54-57,23-21-44-55-49-27-37(7,8)28-50-55)36-26-41(14,18-2)46-43(16,20-4)34(36)6/h33-36,44-46H,17-32H2,1-16H3/q+1.

What are the key properties of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium?

(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium has a molecular weight of 863.12 g/mol, XLogP of 10.27, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]azanium is sourced from PubChem (CID 54006177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).