2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one

C144H264N26O6 — CID 90846442

IUPAC2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCCCN(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.COc1ccc(C=C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C106H203N23.C29H44N2O5.C9H17NO/c1-30-39-60-121(61-40-31-2)88-107-89(122(62-41-32-3)63-42-33-4)110-92(109-88)126(84-75-99(14,15)117-100(16,17)76-84)69-56-52-48-50-54-58-71-128(86-79-103(22,23)119-104(24,25)80-86)95-113-94(125(68-47-38-9)83-73-97(10,11)116-98(12,13)74-83)114-96(115-95)129(87-81-105(26,27)120-106(28,29)82-87)72-59-55-51-49-53-57-70-127(85-77-101(18,19)118-102(20,21)78-85)93-111-90(123(64-43-34-5)65-44-35-6)108-91(112-93)124(66-45-36-7)67-46-37-8;1-26(2)15-21(16-27(3,4)30-26)35-24(32)23(14-19-10-12-20(34-9)13-11-19)25(33)36-22-17-28(5,6)31-29(7,8)18-22;1-8(2)5-7(11)6-9(3,4)10-8/h83-87,116-120H,30-82H2,1-29H3;10-14,21-22,30-31H,15-18H2,1-9H3;10H,5-6H2,1-4H3
InChIKeyMTTSCGHVTOXUNW-UHFFFAOYSA-N
MW2455.87 g/mol
LogP29.61
Rot. Bonds65

About 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one

2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 90846442) has the molecular formula C144H264N26O6 and a molecular weight of 2455.87 g/mol. Its IUPAC name is 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one
PubChem CID90846442
Molecular FormulaC144H264N26O6
Molecular Weight2455.87 g/mol
Exact Mass2454.12
IUPAC Name2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCCCN(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.COc1ccc(C=C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C106H203N23.C29H44N2O5.C9H17NO/c1-30-39-60-121(61-40-31-2)88-107-89(122(62-41-32-3)63-42-33-4)110-92(109-88)126(84-75-99(14,15)117-100(16,17)76-84)69-56-52-48-50-54-58-71-128(86-79-103(22,23)119-104(24,25)80-86)95-113-94(125(68-47-38-9)83-73-97(10,11)116-98(12,13)74-83)114-96(115-95)129(87-81-105(26,27)120-106(28,29)82-87)72-59-55-51-49-53-57-70-127(85-77-101(18,19)118-102(20,21)78-85)93-111-90(123(64-43-34-5)65-44-35-6)108-91(112-93)124(66-45-36-7)67-46-37-8;1-26(2)15-21(16-27(3,4)30-26)35-24(32)23(14-19-10-12-20(34-9)13-11-19)25(33)36-22-17-28(5,6)31-29(7,8)18-22;1-8(2)5-7(11)6-9(3,4)10-8/h83-87,116-120H,30-82H2,1-29H3;10-14,21-22,30-31H,15-18H2,1-9H3;10H,5-6H2,1-4H3
InChIKeyMTTSCGHVTOXUNW-UHFFFAOYSA-N
XLogP29.61
TPSA320.31 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds65
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002455.87
LogP ≤ 529.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one (CID 90846442) is 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1.CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCCCN(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.COc1ccc(C=C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is MTTSCGHVTOXUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H203N23.C29H44N2O5.C9H17NO/c1-30-39-60-121(61-40-31-2)88-107-89(122(62-41-32-3)63-42-33-4)110-92(109-88)126(84-75-99(14,15)117-100(16,17)76-84)69-56-52-48-50-54-58-71-128(86-79-103(22,23)119-104(24,25)80-86)95-113-94(125(68-47-38-9)83-73-97(10,11)116-98(12,13)74-83)114-96(115-95)129(87-81-105(26,27)120-106(28,29)82-87)72-59-55-51-49-53-57-70-127(85-77-101(18,19)118-102(20,21)78-85)93-111-90(123(64-43-34-5)65-44-35-6)108-91(112-93)124(66-45-36-7)67-46-37-8;1-26(2)15-21(16-27(3,4)30-26)35-24(32)23(14-19-10-12-20(34-9)13-11-19)25(33)36-22-17-28(5,6)31-29(7,8)18-22;1-8(2)5-7(11)6-9(3,4)10-8/h83-87,116-120H,30-82H2,1-29H3;10-14,21-22,30-31H,15-18H2,1-9H3;10H,5-6H2,1-4H3.
What are the key properties of 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one?
2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 2455.87 g/mol, XLogP of 29.61, 65 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 90846442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).