N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine

C67H126N14O4 — CID 19031726

IUPACN,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCN1C(C)(C)CC(OC2=NN(OC3CC(C)(C)N(C)C(C)(C)C3)NC(N(CCCN(C3=CC(OC4CC(C)(C)N(C)C(C)(C)C4)=NN(OC4CC(C)(C)N(C)C(C)(C)C4)N3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)=C2)CC1(C)C
InChIInChI=1S/C67H126N14O4/c1-56(2)34-46(35-57(3,4)72-56)78(52-32-54(82-48-38-60(9,10)74(25)61(11,12)39-48)70-80(68-52)84-50-42-64(17,18)76(27)65(19,20)43-50)30-29-31-79(47-36-58(5,6)73-59(7,8)37-47)53-33-55(83-49-40-62(13,14)75(26)63(15,16)41-49)71-81(69-53)85-51-44-66(21,22)77(28)67(23,24)45-51/h32-33,46-51,68-69,72-73H,29-31,34-45H2,1-28H3
InChIKeyVGFOSKQYVIMDRU-UHFFFAOYSA-N
MW1191.84 g/mol
LogP11.05
Rot. Bonds14

About N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine

N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 19031726) has the molecular formula C67H126N14O4 and a molecular weight of 1191.84 g/mol. Its IUPAC name is N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
PubChem CID19031726
Molecular FormulaC67H126N14O4
Molecular Weight1191.84 g/mol
Exact Mass1191.01
IUPAC NameN,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCN1C(C)(C)CC(OC2=NN(OC3CC(C)(C)N(C)C(C)(C)C3)NC(N(CCCN(C3=CC(OC4CC(C)(C)N(C)C(C)(C)C4)=NN(OC4CC(C)(C)N(C)C(C)(C)C4)N3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)=C2)CC1(C)C
InChIInChI=1S/C67H126N14O4/c1-56(2)34-46(35-57(3,4)72-56)78(52-32-54(82-48-38-60(9,10)74(25)61(11,12)39-48)70-80(68-52)84-50-42-64(17,18)76(27)65(19,20)43-50)30-29-31-79(47-36-58(5,6)73-59(7,8)37-47)53-33-55(83-49-40-62(13,14)75(26)63(15,16)41-49)71-81(69-53)85-51-44-66(21,22)77(28)67(23,24)45-51/h32-33,46-51,68-69,72-73H,29-31,34-45H2,1-28H3
InChIKeyVGFOSKQYVIMDRU-UHFFFAOYSA-N
XLogP11.05
TPSA135.68 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001191.84
LogP ≤ 511.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (CID 19031726) is N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is CN1C(C)(C)CC(OC2=NN(OC3CC(C)(C)N(C)C(C)(C)C3)NC(N(CCCN(C3=CC(OC4CC(C)(C)N(C)C(C)(C)C4)=NN(OC4CC(C)(C)N(C)C(C)(C)C4)N3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)=C2)CC1(C)C.
What is the InChIKey of N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is VGFOSKQYVIMDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H126N14O4/c1-56(2)34-46(35-57(3,4)72-56)78(52-32-54(82-48-38-60(9,10)74(25)61(11,12)39-48)70-80(68-52)84-50-42-64(17,18)76(27)65(19,20)43-50)30-29-31-79(47-36-58(5,6)73-59(7,8)37-47)53-33-55(83-49-40-62(13,14)75(26)63(15,16)41-49)71-81(69-53)85-51-44-66(21,22)77(28)67(23,24)45-51/h32-33,46-51,68-69,72-73H,29-31,34-45H2,1-28H3.
What are the key properties of N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 1191.84 g/mol, XLogP of 11.05, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2,4-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1H-triazin-6-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 19031726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).