6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

C88H166Cl2N14O4 — CID 19090196

About 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19090196) has the molecular formula C88H166Cl2N14O4 and a molecular weight of 1555.30 g/mol. Its IUPAC name is 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 19090196
• Molecular Formula: C88H166Cl2N14O4
• Molecular Weight: 1555.30 g/mol
• Exact Mass: 1553.26
• IUPAC Name: 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• SMILES: CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(Cl)nc(N(CCCCCCN(c3nc(Cl)nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
• InChI: InChI=1S/C88H166Cl2N14O4/c1-23-29-33-37-43-49-57-105-101-81(7,8)61-69(62-82(101,9)10)73(53-27-5)91-77-93-75(89)95-79(97-77)99(71-65-85(15,16)103(86(17,18)66-71)107-59-51-45-39-35-31-25-3)55-47-41-42-48-56-100(72-67-87(19,20)104(88(21,22)68-72)108-60-52-46-40-36-32-26-4)80-96-76(90)94-78(98-80)92-74(54-28-6)70-63-83(11,12)102(84(13,14)64-70)106-58-50-44-38-34-30-24-2/h69-74H,23-68H2,1-22H3,(H,91,93,95,97)(H,92,94,96,98)
• InChIKey: BDURLEPUXBBHPN-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 157.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 53
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1555.30
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19090196) is 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(Cl)nc(N(CCCCCCN(c3nc(Cl)nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C.

What is the InChIKey of 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is BDURLEPUXBBHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H166Cl2N14O4/c1-23-29-33-37-43-49-57-105-101-81(7,8)61-69(62-82(101,9)10)73(53-27-5)91-77-93-75(89)95-79(97-77)99(71-65-85(15,16)103(86(17,18)66-71)107-59-51-45-39-35-31-25-3)55-47-41-42-48-56-100(72-67-87(19,20)104(88(21,22)68-72)108-60-52-46-40-36-32-26-4)80-96-76(90)94-78(98-80)92-74(54-28-6)70-63-83(11,12)102(84(13,14)64-70)106-58-50-44-38-34-30-24-2/h69-74H,23-68H2,1-22H3,(H,91,93,95,97)(H,92,94,96,98).

What are the key properties of 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1555.30 g/mol, XLogP of 24.15, 53 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N-[6-[[4-chloro-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).