1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol

C34H66N8O3 — CID 19090176

IUPAC1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCCCC(Nc1nc(NCC(C)O)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C34H66N8O3/c1-14-16-26(24-18-31(4,5)41(44-12)32(6,7)19-24)36-29-38-28(35-22-23(3)43)39-30(40-29)37-27(17-15-2)25-20-33(8,9)42(45-13)34(10,11)21-25/h23-27,43H,14-22H2,1-13H3,(H3,35,36,37,38,39,40)
InChIKeyQOVDIJAFBUSOGU-UHFFFAOYSA-N
MW634.96 g/mol
LogP6.49
Rot. Bonds15

About 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol

1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 19090176) has the molecular formula C34H66N8O3 and a molecular weight of 634.96 g/mol. Its IUPAC name is 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID19090176
Molecular FormulaC34H66N8O3
Molecular Weight634.96 g/mol
Exact Mass634.53
IUPAC Name1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCCCC(Nc1nc(NCC(C)O)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C34H66N8O3/c1-14-16-26(24-18-31(4,5)41(44-12)32(6,7)19-24)36-29-38-28(35-22-23(3)43)39-30(40-29)37-27(17-15-2)25-20-33(8,9)42(45-13)34(10,11)21-25/h23-27,43H,14-22H2,1-13H3,(H3,35,36,37,38,39,40)
InChIKeyQOVDIJAFBUSOGU-UHFFFAOYSA-N
XLogP6.49
TPSA119.93 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500634.96
LogP ≤ 56.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-[[4,6-Bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 9853587
2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 14746199
2-[[4,6-Bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 14746205
2-[[4,6-Bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 15250401
1-[4-[2-[[4,6-Bis[2-[1-(2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2,2,6,6-tetramethylpiperidin-1-yl]propan-2-ol
CID 17882989
2,4-Bis {N-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino}-6-(2-hydroxyethyl)amino-s-triazine
CID 17930779
2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 18993528
2-[[4,6-Bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090174
2-[[4-[6-[[4-(2-Hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090177
2-[[4,6-Bis[1-(2,2,6,6-tetramethyl-1-octadecoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090178
2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-isocyanato-1,3,5-triazine-2,4-diamine
CID 19090183
2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090184

Frequently Asked Questions

What is the IUPAC name of 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 19090176) is 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol is CCCC(Nc1nc(NCC(C)O)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is QOVDIJAFBUSOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N8O3/c1-14-16-26(24-18-31(4,5)41(44-12)32(6,7)19-24)36-29-38-28(35-22-23(3)43)39-30(40-29)37-27(17-15-2)25-20-33(8,9)42(45-13)34(10,11)21-25/h23-27,43H,14-22H2,1-13H3,(H3,35,36,37,38,39,40).
What are the key properties of 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 634.96 g/mol, XLogP of 6.49, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 19090176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).