bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate

C29H54N2O4 — CID 20512124

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate
SMILESCC(C)CC(CC(C)C)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H54N2O4/c1-19(2)13-29(14-20(3)4,23(32)34-21-15-25(5,6)30-26(7,8)16-21)24(33)35-22-17-27(9,10)31-28(11,12)18-22/h19-22,30-31H,13-18H2,1-12H3
InChIKeyTVCJSJVBLVKRGN-UHFFFAOYSA-N
MW494.76 g/mol
LogP5.77
Rot. Bonds8

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate (PubChem CID 20512124) has the molecular formula C29H54N2O4 and a molecular weight of 494.76 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate
PubChem CID20512124
Molecular FormulaC29H54N2O4
Molecular Weight494.76 g/mol
Exact Mass494.41
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate
SMILESCC(C)CC(CC(C)C)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H54N2O4/c1-19(2)13-29(14-20(3)4,23(32)34-21-15-25(5,6)30-26(7,8)16-21)24(33)35-22-17-27(9,10)31-28(11,12)18-22/h19-22,30-31H,13-18H2,1-12H3
InChIKeyTVCJSJVBLVKRGN-UHFFFAOYSA-N
XLogP5.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 1244568
Bis(2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 4546134
[5-Oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 5185552
Bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate
CID 14512544
Bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 14512548
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-methylpropanedioate
CID 16725766
2-Ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbutanoic acid
CID 17923219
1-O,1-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,2-O-ditridecyl butane-1,1,1,2-tetracarboxylate
CID 17972259
1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1-tricarboxylate
CID 17972260
Tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,3-tricarboxylate
CID 19762208
Butylmalonic acid-bis(2,3,6-trimethyl-2,6-diethyl-4-piperidinyl)ester
CID 20343463
Ethylmalonic acid-bis(2,2,6,6-tetramethyl-4-piperidinyl)ester
CID 20343470

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate (CID 20512124) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate is CC(C)CC(CC(C)C)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate?
The InChIKey is TVCJSJVBLVKRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N2O4/c1-19(2)13-29(14-20(3)4,23(32)34-21-15-25(5,6)30-26(7,8)16-21)24(33)35-22-17-27(9,10)31-28(11,12)18-22/h19-22,30-31H,13-18H2,1-12H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate has a molecular weight of 494.76 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylpropyl)propanedioate is sourced from PubChem (CID 20512124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).