4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine

C105H195N23O3 — CID 54254693

About 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine

4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 54254693) has the molecular formula C105H195N23O3 and a molecular weight of 1827.87 g/mol. Its IUPAC name is 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 54254693
• Molecular Formula: C105H195N23O3
• Molecular Weight: 1827.87 g/mol
• Exact Mass: 1826.58
• IUPAC Name: 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine
• SMILES: CN1C(C)(C)CC(CCCCNc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCN(c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)N(C)C(C)(C)C3)CCN(c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
• InChI: InChI=1S/C105H195N23O3/c1-90(2)57-73(58-91(3,4)118(90)33)47-41-44-50-106-81-109-84(115-87(112-81)129-78-67-100(21,22)123(38)101(23,24)68-78)126(53-55-127(76-63-96(13,14)121(36)97(15,16)64-76)85-110-82(107-51-45-42-48-74-59-92(5,6)119(34)93(7,8)60-74)113-88(116-85)130-79-69-102(25,26)124(39)103(27,28)70-79)54-56-128(77-65-98(17,18)122(37)99(19,20)66-77)86-111-83(108-52-46-43-49-75-61-94(9,10)120(35)95(11,12)62-75)114-89(117-86)131-80-71-104(29,30)125(40)105(31,32)72-80/h73-80H,41-72H2,1-40H3,(H,106,109,112,115)(H,107,110,113,116)(H,108,111,114,117)
• InChIKey: QZENKQMPJOHBKM-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 215.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1827.87
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine (CID 54254693) is 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine is CN1C(C)(C)CC(CCCCNc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCN(c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)N(C)C(C)(C)C3)CCN(c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C.

What is the InChIKey of 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is QZENKQMPJOHBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H195N23O3/c1-90(2)57-73(58-91(3,4)118(90)33)47-41-44-50-106-81-109-84(115-87(112-81)129-78-67-100(21,22)123(38)101(23,24)68-78)126(53-55-127(76-63-96(13,14)121(36)97(15,16)64-76)85-110-82(107-51-45-42-48-74-59-92(5,6)119(34)93(7,8)60-74)113-88(116-85)130-79-69-102(25,26)124(39)103(27,28)70-79)54-56-128(77-65-98(17,18)122(37)99(19,20)66-77)86-111-83(108-52-46-43-49-75-61-94(9,10)120(35)95(11,12)62-75)114-89(117-86)131-80-71-104(29,30)125(40)105(31,32)72-80/h73-80H,41-72H2,1-40H3,(H,106,109,112,115)(H,107,110,113,116)(H,108,111,114,117).

What are the key properties of 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine?

4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1827.87 g/mol, XLogP of 19.90, 35 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54254693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).