bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate

C32H59N3O8 — CID 126739205

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
SMILESCC1(C)CC(OCCC(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C32H59N3O8/c1-27(2)15-21(16-28(3,4)33(27)38)41-14-13-24(25(36)42-22-17-29(5,6)34(39)30(7,8)18-22)26(37)43-23-19-31(9,10)35(40)32(11,12)20-23/h21-24,38-40H,13-20H2,1-12H3
InChIKeyQVIVIRRADPTQLX-UHFFFAOYSA-N
MW613.84 g/mol
LogP5.33
Rot. Bonds8

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate (PubChem CID 126739205) has the molecular formula C32H59N3O8 and a molecular weight of 613.84 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
PubChem CID126739205
Molecular FormulaC32H59N3O8
Molecular Weight613.84 g/mol
Exact Mass613.43
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
SMILESCC1(C)CC(OCCC(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C32H59N3O8/c1-27(2)15-21(16-28(3,4)33(27)38)41-14-13-24(25(36)42-22-17-29(5,6)34(39)30(7,8)18-22)26(37)43-23-19-31(9,10)35(40)32(11,12)20-23/h21-24,38-40H,13-20H2,1-12H3
InChIKeyQVIVIRRADPTQLX-UHFFFAOYSA-N
XLogP5.33
TPSA132.24 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500613.84
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 167105370
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
1-O,2-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 147915843
1-O,2-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 145331536
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
2-[2-[2-[2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-iodopropanoate
CID 163668551
1-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 160526152
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
CID 166830264
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
CID 20778574
1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane
CID 161062825

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate (CID 126739205) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate is CC1(C)CC(OCCC(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate?
The InChIKey is QVIVIRRADPTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59N3O8/c1-27(2)15-21(16-28(3,4)33(27)38)41-14-13-24(25(36)42-22-17-29(5,6)34(39)30(7,8)18-22)26(37)43-23-19-31(9,10)35(40)32(11,12)20-23/h21-24,38-40H,13-20H2,1-12H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate has a molecular weight of 613.84 g/mol, XLogP of 5.33, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate is sourced from PubChem (CID 126739205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).