[3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate

C51H87N3O12 — CID 20826117

IUPAC[3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate
SMILESCCC1(C)CC(O)C(C)C(C)(CC)N1OC(C)C(=O)Oc1cc(OC(=O)C(C)ON2C(C)(CC)CC(O)C(C)C2(C)CC)cc(OC(=O)C(C)ON2C(C)(CC)CC(O)C(C)C2(C)CC)c1
InChIInChI=1S/C51H87N3O12/c1-19-46(13)28-40(55)31(7)49(16,22-4)52(46)64-34(10)43(58)61-37-25-38(62-44(59)35(11)65-53-47(14,20-2)29-41(56)32(8)50(53,17)23-5)27-39(26-37)63-45(60)36(12)66-54-48(15,21-3)30-42(57)33(9)51(54,18)24-6/h25-27,31-36,40-42,55-57H,19-24,28-30H2,1-18H3
InChIKeyZBWVEWOBOYWKBG-UHFFFAOYSA-N
MW934.27 g/mol
LogP8.48
Rot. Bonds18

About [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate

[3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate (PubChem CID 20826117) has the molecular formula C51H87N3O12 and a molecular weight of 934.27 g/mol. Its IUPAC name is [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Name[3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate
PubChem CID20826117
Molecular FormulaC51H87N3O12
Molecular Weight934.27 g/mol
Exact Mass933.63
IUPAC Name[3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate
SMILESCCC1(C)CC(O)C(C)C(C)(CC)N1OC(C)C(=O)Oc1cc(OC(=O)C(C)ON2C(C)(CC)CC(O)C(C)C2(C)CC)cc(OC(=O)C(C)ON2C(C)(CC)CC(O)C(C)C2(C)CC)c1
InChIInChI=1S/C51H87N3O12/c1-19-46(13)28-40(55)31(7)49(16,22-4)52(46)64-34(10)43(58)61-37-25-38(62-44(59)35(11)65-53-47(14,20-2)29-41(56)32(8)50(53,17)23-5)27-39(26-37)63-45(60)36(12)66-54-48(15,21-3)30-42(57)33(9)51(54,18)24-6/h25-27,31-36,40-42,55-57H,19-24,28-30H2,1-18H3
InChIKeyZBWVEWOBOYWKBG-UHFFFAOYSA-N
XLogP8.48
TPSA177.00 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.27
LogP ≤ 58.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate with MolForge

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Related Compounds

1-Hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine
CID 121247876
4-[2,5-Bis[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]-1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidine
CID 129060363
4-[3,5-Bis[(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]-1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidine
CID 129060414
CID 140708458
CID 140708458
[4-[3,5-Bis[(2,2-dimethyl-1-oxonio-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]-2,2-dimethyl-6-propan-2-ylpiperidin-1-yl]oxidanium
CID 147702223
[4-[2,4-Bis[(2,2,6-trimethyl-1-oxonio-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]-2,2,6-trimethyl-6-propan-2-ylpiperidin-1-yl]oxidanium
CID 161593047

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate?
The IUPAC name of [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate (CID 20826117) is [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate is CCC1(C)CC(O)C(C)C(C)(CC)N1OC(C)C(=O)Oc1cc(OC(=O)C(C)ON2C(C)(CC)CC(O)C(C)C2(C)CC)cc(OC(=O)C(C)ON2C(C)(CC)CC(O)C(C)C2(C)CC)c1.
What is the InChIKey of [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate?
The InChIKey is ZBWVEWOBOYWKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H87N3O12/c1-19-46(13)28-40(55)31(7)49(16,22-4)52(46)64-34(10)43(58)61-37-25-38(62-44(59)35(11)65-53-47(14,20-2)29-41(56)32(8)50(53,17)23-5)27-39(26-37)63-45(60)36(12)66-54-48(15,21-3)30-42(57)33(9)51(54,18)24-6/h25-27,31-36,40-42,55-57H,19-24,28-30H2,1-18H3.
What are the key properties of [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate?
[3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate has a molecular weight of 934.27 g/mol, XLogP of 8.48, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate is sourced from PubChem (CID 20826117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).