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

C32H56N3O9- — CID 147915843

IUPAC1-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
SMILESCC1(C)CC(OC(=O)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C32H56N3O9/c1-27(2)14-20(15-28(3,4)33(27)39)42-24(36)13-23(25(37)43-21-16-29(5,6)34(40)30(7,8)17-21)26(38)44-22-18-31(9,10)35(41)32(11,12)19-22/h20-23,39-40H,13-19H2,1-12H3/q-1
InChIKeyIHAVODXLNINAPB-UHFFFAOYSA-N
MW626.81 g/mol
LogP4.96
Rot. Bonds7

About 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

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 (PubChem CID 147915843) has the molecular formula C32H56N3O9- and a molecular weight of 626.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID147915843
Molecular FormulaC32H56N3O9-
Molecular Weight626.81 g/mol
Exact Mass626.40
IUPAC Name1-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
SMILESCC1(C)CC(OC(=O)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C32H56N3O9/c1-27(2)14-20(15-28(3,4)33(27)39)42-24(36)13-23(25(37)43-21-16-29(5,6)34(40)30(7,8)17-21)26(38)44-22-18-31(9,10)35(41)32(11,12)19-22/h20-23,39-40H,13-19H2,1-12H3/q-1
InChIKeyIHAVODXLNINAPB-UHFFFAOYSA-N
XLogP4.96
TPSA152.14 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.81
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
CID 158347381
4-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbutanedioate
CID 118137042
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
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
CID 169012650
CID 169012650
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
1-O,2-O-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 90132227
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
CID 163897678
CID 163897678
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(OC(=O)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O-].
What is the InChIKey of 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?
The InChIKey is IHAVODXLNINAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N3O9/c1-27(2)14-20(15-28(3,4)33(27)39)42-24(36)13-23(25(37)43-21-16-29(5,6)34(40)30(7,8)17-21)26(38)44-22-18-31(9,10)35(41)32(11,12)19-22/h20-23,39-40H,13-19H2,1-12H3/q-1.
What are the key properties of 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?
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 has a molecular weight of 626.81 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147915843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).