bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate

C29H54N2O4 — CID 20512140

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
SMILESCCCCC(CCCC)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H54N2O4/c1-11-13-15-29(16-14-12-2,23(32)34-21-17-25(3,4)30-26(5,6)18-21)24(33)35-22-19-27(7,8)31-28(9,10)20-22/h21-22,30-31H,11-20H2,1-10H3
InChIKeyPLGGHUXNOWUXFF-UHFFFAOYSA-N
MW494.76 g/mol
LogP6.06
Rot. Bonds10

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate (PubChem CID 20512140) 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-dibutylpropanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
PubChem CID20512140
Molecular FormulaC29H54N2O4
Molecular Weight494.76 g/mol
Exact Mass494.41
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
SMILESCCCCC(CCCC)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H54N2O4/c1-11-13-15-29(16-14-12-2,23(32)34-21-17-25(3,4)30-26(5,6)18-21)24(33)35-22-19-27(7,8)31-28(9,10)20-22/h21-22,30-31H,11-20H2,1-10H3
InChIKeyPLGGHUXNOWUXFF-UHFFFAOYSA-N
XLogP6.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 56.06
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

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
CID 140891545
CID 140891545
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,4-diethyl-2,4-dimethylpentanedioate
CID 145333560
2,2-dimethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexan-1-ol
CID 139492039
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
CID 54136975
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159
tetraethyl pentadecane-4,4,10,10-tetracarboxylate
CID 134314067
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
2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid
CID 68877413
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
CID 170936784
CID 170936784

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate (CID 20512140) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate is CCCCC(CCCC)(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-dibutylpropanedioate?
The InChIKey is PLGGHUXNOWUXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N2O4/c1-11-13-15-29(16-14-12-2,23(32)34-21-17-25(3,4)30-26(5,6)18-21)24(33)35-22-19-27(7,8)31-28(9,10)20-22/h21-22,30-31H,11-20H2,1-10H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate has a molecular weight of 494.76 g/mol, XLogP of 6.06, 10 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-dibutylpropanedioate is sourced from PubChem (CID 20512140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).