2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine

C124H232N30O8 — CID 54089733

IUPAC2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCN(CCN(CCC)c1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCC(OC)C2CC(C)(C)N(c3nc(NCCC(OC)C4CC(C)(C)NC(C)(C)C4)nc(NCCC(OC)C4CC(C)(C)NC(C)(C)C4)n3)C(C)(C)C2)c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)n1)c1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C124H232N30O8/c1-43-60-151(104-135-97(125-53-45-89(155-35)81-65-109(3,4)144-110(5,6)66-81)132-98(136-104)126-54-46-90(156-36)82-67-111(7,8)145-112(9,10)68-82)63-64-152(61-44-2)105-137-103(131-59-51-95(161-41)87-77-121(27,28)150-122(29,30)78-87)140-107(143-105)153(106-138-99(127-55-47-91(157-37)83-69-113(11,12)146-114(13,14)70-83)133-100(139-106)128-56-48-92(158-38)84-71-115(15,16)147-116(17,18)72-84)62-52-96(162-42)88-79-123(31,32)154(124(33,34)80-88)108-141-101(129-57-49-93(159-39)85-73-117(19,20)148-118(21,22)74-85)134-102(142-108)130-58-50-94(160-40)86-75-119(23,24)149-120(25,26)76-86/h81-96,144-150H,43-80H2,1-42H3,(H,131,137,140,143)(H2,125,126,132,135,136)(H2,127,128,133,138,139)(H2,129,130,134,141,142)
InChIKeyMSZTUKMPLQRMEU-UHFFFAOYSA-N
MW2271.42 g/mol
LogP20.19
Rot. Bonds59

About 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine

2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 54089733) has the molecular formula C124H232N30O8 and a molecular weight of 2271.42 g/mol. Its IUPAC name is 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID54089733
Molecular FormulaC124H232N30O8
Molecular Weight2271.42 g/mol
Exact Mass2269.87
IUPAC Name2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCN(CCN(CCC)c1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCC(OC)C2CC(C)(C)N(c3nc(NCCC(OC)C4CC(C)(C)NC(C)(C)C4)nc(NCCC(OC)C4CC(C)(C)NC(C)(C)C4)n3)C(C)(C)C2)c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)n1)c1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C124H232N30O8/c1-43-60-151(104-135-97(125-53-45-89(155-35)81-65-109(3,4)144-110(5,6)66-81)132-98(136-104)126-54-46-90(156-36)82-67-111(7,8)145-112(9,10)68-82)63-64-152(61-44-2)105-137-103(131-59-51-95(161-41)87-77-121(27,28)150-122(29,30)78-87)140-107(143-105)153(106-138-99(127-55-47-91(157-37)83-69-113(11,12)146-114(13,14)70-83)133-100(139-106)128-56-48-92(158-38)84-71-115(15,16)147-116(17,18)72-84)62-52-96(162-42)88-79-123(31,32)154(124(33,34)80-88)108-141-101(129-57-49-93(159-39)85-73-117(19,20)148-118(21,22)74-85)134-102(142-108)130-58-50-94(160-40)86-75-119(23,24)149-120(25,26)76-86/h81-96,144-150H,43-80H2,1-42H3,(H,131,137,140,143)(H2,125,126,132,135,136)(H2,127,128,133,138,139)(H2,129,130,134,141,142)
InChIKeyMSZTUKMPLQRMEU-UHFFFAOYSA-N
XLogP20.19
TPSA409.90 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds59
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.42
LogP ≤ 520.19
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Analyze 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 54089733) is 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCN(CCN(CCC)c1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCC(OC)C2CC(C)(C)N(c3nc(NCCC(OC)C4CC(C)(C)NC(C)(C)C4)nc(NCCC(OC)C4CC(C)(C)NC(C)(C)C4)n3)C(C)(C)C2)c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)n1)c1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MSZTUKMPLQRMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H232N30O8/c1-43-60-151(104-135-97(125-53-45-89(155-35)81-65-109(3,4)144-110(5,6)66-81)132-98(136-104)126-54-46-90(156-36)82-67-111(7,8)145-112(9,10)68-82)63-64-152(61-44-2)105-137-103(131-59-51-95(161-41)87-77-121(27,28)150-122(29,30)78-87)140-107(143-105)153(106-138-99(127-55-47-91(157-37)83-69-113(11,12)146-114(13,14)70-83)133-100(139-106)128-56-48-92(158-38)84-71-115(15,16)147-116(17,18)72-84)62-52-96(162-42)88-79-123(31,32)154(124(33,34)80-88)108-141-101(129-57-49-93(159-39)85-73-117(19,20)148-118(21,22)74-85)134-102(142-108)130-58-50-94(160-40)86-75-119(23,24)149-120(25,26)76-86/h81-96,144-150H,43-80H2,1-42H3,(H,131,137,140,143)(H2,125,126,132,135,136)(H2,127,128,133,138,139)(H2,129,130,134,141,142).
What are the key properties of 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2271.42 g/mol, XLogP of 20.19, 59 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[4-[[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-[3-[1-[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-3-methoxypropyl]amino]-6-[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]-propylamino]ethyl]-4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 54089733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).