[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

C26H49N2O6+ — CID 176948895

IUPAC[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCCCCC(C)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N([OH2+])C(C)(C)C1
InChIInChI=1S/C26H48N2O6/c1-11-12-13-26(10,20(29)33-18-14-22(2,3)27(31)23(4,5)15-18)21(30)34-19-16-24(6,7)28(32)25(8,9)17-19/h18-19,31-32H,11-17H2,1-10H3/p+1
InChIKeyVMLZKMITBNMZHP-UHFFFAOYSA-O
MW485.69 g/mol
LogP4.34
Rot. Bonds7

About [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (PubChem CID 176948895) has the molecular formula C26H49N2O6+ and a molecular weight of 485.69 g/mol. Its IUPAC name is [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.

Molecular Properties

Compound Name[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
PubChem CID176948895
Molecular FormulaC26H49N2O6+
Molecular Weight485.69 g/mol
Exact Mass485.36
IUPAC Name[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCCCCC(C)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N([OH2+])C(C)(C)C1
InChIInChI=1S/C26H48N2O6/c1-11-12-13-26(10,20(29)33-18-14-22(2,3)27(31)23(4,5)15-18)21(30)34-19-16-24(6,7)28(32)25(8,9)17-19/h18-19,31-32H,11-17H2,1-10H3/p+1
InChIKeyVMLZKMITBNMZHP-UHFFFAOYSA-O
XLogP4.34
TPSA102.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.69
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octoxy]-4-oxobutanoyl]oxypropyl]-2-butylpropanedioate
CID 135266139
[4-[3-[2-butyl-2-[3-(1-hydroxy-1,2,2,6,6-pentamethylpiperidin-1-ium-4-yl)oxypropoxycarbonyl]-9,9-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]tridecanoyl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163597426
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate
CID 135275067
tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-methylhexadecane-4,4,11-tricarboxylate
CID 139514330
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) 2-hydroxy-2-methyloctadecanoate
CID 67544387
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159
CID 140891545
CID 140891545
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The IUPAC name of [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (CID 176948895) is [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.
What is the SMILES notation for [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The canonical SMILES for [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is CCCCC(C)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N([OH2+])C(C)(C)C1.
What is the InChIKey of [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The InChIKey is VMLZKMITBNMZHP-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H48N2O6/c1-11-12-13-26(10,20(29)33-18-14-22(2,3)27(31)23(4,5)15-18)21(30)34-19-16-24(6,7)28(32)25(8,9)17-19/h18-19,31-32H,11-17H2,1-10H3/p+1.
What are the key properties of [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium has a molecular weight of 485.69 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is sourced from PubChem (CID 176948895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).