tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)

C26H50K3N2O6+3 — CID 172750388

IUPACtripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)
SMILESCC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.CC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.[K+].[K+].[K+]
InChIInChI=1S/2C13H25NO3.3K/c2*1-11(2)7-10(15)8-12(3,4)14(11)17-9-13(5,6)16;;;/h2*16H,7-9H2,1-6H3;;;/q;;3*+1
InChIKeyKHEUCDJASOLCTD-UHFFFAOYSA-N
MW603.99 g/mol
LogP-5.17
Rot. Bonds6

About tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)

tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one) (PubChem CID 172750388) has the molecular formula C26H50K3N2O6+3 and a molecular weight of 603.99 g/mol. Its IUPAC name is tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one).

Molecular Properties

Compound Nametripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)
PubChem CID172750388
Molecular FormulaC26H50K3N2O6+3
Molecular Weight603.99 g/mol
Exact Mass603.26
IUPAC Nametripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)
SMILESCC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.CC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.[K+].[K+].[K+]
InChIInChI=1S/2C13H25NO3.3K/c2*1-11(2)7-10(15)8-12(3,4)14(11)17-9-13(5,6)16;;;/h2*16H,7-9H2,1-6H3;;;/q;;3*+1
InChIKeyKHEUCDJASOLCTD-UHFFFAOYSA-N
XLogP-5.17
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.99
LogP ≤ 5-5.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tripotassium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)
CID 173123427
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 6850828
1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
CID 141007745
2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol
CID 89209157
1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
CID 141007741
10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
CID 22255858
4-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl butanedioate;6-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl hexanedioate
CID 22743585
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303
1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate
CID 18728785
Tempone
CID 520789
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol;[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158735519
1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
CID 142936631

Frequently Asked Questions

What is the IUPAC name of tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)?
The IUPAC name of tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one) (CID 172750388) is tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one).
What is the SMILES notation for tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)?
The canonical SMILES for tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one) is CC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.CC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.[K+].[K+].[K+].
What is the InChIKey of tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)?
The InChIKey is KHEUCDJASOLCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25NO3.3K/c2*1-11(2)7-10(15)8-12(3,4)14(11)17-9-13(5,6)16;;;/h2*16H,7-9H2,1-6H3;;;/q;;3*+1.
What are the key properties of tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)?
tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one) has a molecular weight of 603.99 g/mol, XLogP of -5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one) is sourced from PubChem (CID 172750388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).