6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C42H78FN9O4 — CID 89334095

IUPAC6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCON1C(C)(C)CC(N(c2nc(F)nc(N(C3CC(C)(C)N(OC)C(C)(C)C3)C3CC(C)(C)N(OC)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C42H78FN9O4/c1-35(2)20-28(21-36(3,4)49(35)53)47(29-22-37(5,6)50(54-17)38(7,8)23-29)33-44-32(43)45-34(46-33)48(30-24-39(9,10)51(55-18)40(11,12)25-30)31-26-41(13,14)52(56-19)42(15,16)27-31/h28-31,53H,20-27H2,1-19H3
InChIKeyNFXVEYDVHYTHKF-UHFFFAOYSA-N
MW792.14 g/mol
LogP7.78
Rot. Bonds9

About 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 89334095) has the molecular formula C42H78FN9O4 and a molecular weight of 792.14 g/mol. Its IUPAC name is 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID89334095
Molecular FormulaC42H78FN9O4
Molecular Weight792.14 g/mol
Exact Mass791.62
IUPAC Name6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCON1C(C)(C)CC(N(c2nc(F)nc(N(C3CC(C)(C)N(OC)C(C)(C)C3)C3CC(C)(C)N(OC)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C42H78FN9O4/c1-35(2)20-28(21-36(3,4)49(35)53)47(29-22-37(5,6)50(54-17)38(7,8)23-29)33-44-32(43)45-34(46-33)48(30-24-39(9,10)51(55-18)40(11,12)25-30)31-26-41(13,14)52(56-19)42(15,16)27-31/h28-31,53H,20-27H2,1-19H3
InChIKeyNFXVEYDVHYTHKF-UHFFFAOYSA-N
XLogP7.78
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500792.14
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 22891720
6-fluoro-2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 68506934
6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 90694902
6-Fluoro-N,N,N',N'-tetrakis-(2,2,6,6-tetramethyl-piperidin-4-yl)-[1,3,5]triazine-2,4-dia-mine
CID 131739820
4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365133
4-N,6-N-dibutyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365134
6-N-methyl-6-N-octyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365138
6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365140
2-N,4-N-dibutyl-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 15218748
4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 18338383
2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 18716464
1-[4-[[4,6-Bis[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
CID 18728793

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 89334095) is 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CON1C(C)(C)CC(N(c2nc(F)nc(N(C3CC(C)(C)N(OC)C(C)(C)C3)C3CC(C)(C)N(OC)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NFXVEYDVHYTHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H78FN9O4/c1-35(2)20-28(21-36(3,4)49(35)53)47(29-22-37(5,6)50(54-17)38(7,8)23-29)33-44-32(43)45-34(46-33)48(30-24-39(9,10)51(55-18)40(11,12)25-30)31-26-41(13,14)52(56-19)42(15,16)27-31/h28-31,53H,20-27H2,1-19H3.
What are the key properties of 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 792.14 g/mol, XLogP of 7.78, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,2-N,4-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89334095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).