N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine

C37H69N7O — CID 143395667

About N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine

N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine (PubChem CID 143395667) has the molecular formula C37H69N7O and a molecular weight of 628.01 g/mol. Its IUPAC name is N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine.

Molecular Properties

• Compound Name: N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine
• PubChem CID: 143395667
• Molecular Formula: C37H69N7O
• Molecular Weight: 628.01 g/mol
• Exact Mass: 627.56
• IUPAC Name: N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine
• SMILES: CCN(CCCCCCC(c1nc(C(C)C)nc(N2CCOCC2)n1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C37H69N7O/c1-12-43(29-25-36(8,9)42-37(10,11)26-29)18-16-14-13-15-17-30(28-23-34(4,5)41-35(6,7)24-28)32-38-31(27(2)3)39-33(40-32)44-19-21-45-22-20-44/h27-30,41-42H,12-26H2,1-11H3
• InChIKey: ZSCNOUBUWRGOAJ-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 78.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.01
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine?

The IUPAC name of N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine (CID 143395667) is N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine.

What is the SMILES notation for N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine?

The canonical SMILES for N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine is CCN(CCCCCCC(c1nc(C(C)C)nc(N2CCOCC2)n1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine?

The InChIKey is ZSCNOUBUWRGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H69N7O/c1-12-43(29-25-36(8,9)42-37(10,11)26-29)18-16-14-13-15-17-30(28-23-34(4,5)41-35(6,7)24-28)32-38-31(27(2)3)39-33(40-32)44-19-21-45-22-20-44/h27-30,41-42H,12-26H2,1-11H3.

What are the key properties of N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine?

N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine has a molecular weight of 628.01 g/mol, XLogP of 7.05, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine is sourced from PubChem (CID 143395667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).