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

C60H106N4O15 — CID 135266139

IUPAC1-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
SMILESCCCCC(CCCOC(=O)CCC(=O)OCCCC(CCCC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C60H106N4O15/c1-19-21-27-59(47(67)76-41-33-51(3,4)61-52(5,6)34-41,48(68)77-42-35-53(7,8)62(71)54(9,10)36-42)29-23-31-74-45(65)25-26-46(66)75-32-24-30-60(28-22-20-2,49(69)78-43-37-55(11,12)63(72)56(13,14)38-43)50(70)79-44-39-57(15,16)64(73)58(17,18)40-44/h41-44,61,71-73H,19-40H2,1-18H3
InChIKeyZBPMWXMJHCNUAH-UHFFFAOYSA-N
MW1123.52 g/mol
LogP10.48
Rot. Bonds25

About 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

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 (PubChem CID 135266139) has the molecular formula C60H106N4O15 and a molecular weight of 1123.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID135266139
Molecular FormulaC60H106N4O15
Molecular Weight1123.52 g/mol
Exact Mass1122.77
IUPAC Name1-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
SMILESCCCCC(CCCOC(=O)CCC(=O)OCCCC(CCCC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C60H106N4O15/c1-19-21-27-59(47(67)76-41-33-51(3,4)61-52(5,6)34-41,48(68)77-42-35-53(7,8)62(71)54(9,10)36-42)29-23-31-74-45(65)25-26-46(66)75-32-24-30-60(28-22-20-2,49(69)78-43-37-55(11,12)63(72)56(13,14)38-43)50(70)79-44-39-57(15,16)64(73)58(17,18)40-44/h41-44,61,71-73H,19-40H2,1-18H3
InChIKeyZBPMWXMJHCNUAH-UHFFFAOYSA-N
XLogP10.48
TPSA240.24 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.52
LogP ≤ 510.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-methylhexadecane-4,4,11-tricarboxylate
CID 139514330
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octoxy]-4-oxobutanoyl]oxypropyl]-2-butylpropanedioate;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate;(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3,4-bis[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate
CID 160616728
CID 140891545
CID 140891545
[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
tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate
CID 146265209
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
[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
2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate
CID 6365990
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
1-O-(2-hydroxyethyl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 70364233
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(CCCOC(=O)CCC(=O)OCCCC(CCCC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 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?
The InChIKey is ZBPMWXMJHCNUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H106N4O15/c1-19-21-27-59(47(67)76-41-33-51(3,4)61-52(5,6)34-41,48(68)77-42-35-53(7,8)62(71)54(9,10)36-42)29-23-31-74-45(65)25-26-46(66)75-32-24-30-60(28-22-20-2,49(69)78-43-37-55(11,12)63(72)56(13,14)38-43)50(70)79-44-39-57(15,16)64(73)58(17,18)40-44/h41-44,61,71-73H,19-40H2,1-18H3.
What are the key properties of 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?
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 has a molecular weight of 1123.52 g/mol, XLogP of 10.48, 25 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135266139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).