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

C23H42N2O4 — CID 139985901

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
SMILESCC1(C)CC(OC(=O)C(C)(C)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C23H42N2O4/c1-19(2)11-15(12-20(3,4)24-19)28-17(26)23(9,10)18(27)29-16-13-21(5,6)25-22(7,8)14-16/h15-16,24-25H,11-14H2,1-10H3
InChIKeyKHPLPPFXPYVMMB-UHFFFAOYSA-N
MW410.60 g/mol
LogP3.72
Rot. Bonds4

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

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate (PubChem CID 139985901) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
PubChem CID139985901
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
SMILESCC1(C)CC(OC(=O)C(C)(C)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C23H42N2O4/c1-19(2)11-15(12-20(3,4)24-19)28-17(26)23(9,10)18(27)29-16-13-21(5,6)25-22(7,8)14-16/h15-16,24-25H,11-14H2,1-10H3
InChIKeyKHPLPPFXPYVMMB-UHFFFAOYSA-N
XLogP3.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 53.72
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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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate (CID 139985901) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate is CC1(C)CC(OC(=O)C(C)(C)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate?
The InChIKey is KHPLPPFXPYVMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-19(2)11-15(12-20(3,4)24-19)28-17(26)23(9,10)18(27)29-16-13-21(5,6)25-22(7,8)14-16/h15-16,24-25H,11-14H2,1-10H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate has a molecular weight of 410.60 g/mol, XLogP of 3.72, 4 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-dimethylpropanedioate is sourced from PubChem (CID 139985901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).