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

C22H40N2O4 — CID 14512544

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate
SMILESCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H40N2O4/c1-14(17(25)27-15-10-19(2,3)23-20(4,5)11-15)18(26)28-16-12-21(6,7)24-22(8,9)13-16/h14-16,23-24H,10-13H2,1-9H3
InChIKeyZWNUSYHOKYAOIJ-UHFFFAOYSA-N
MW396.57 g/mol
LogP3.33
Rot. Bonds4

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

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate (PubChem CID 14512544) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate
PubChem CID14512544
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate
SMILESCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H40N2O4/c1-14(17(25)27-15-10-19(2,3)23-20(4,5)11-15)18(26)28-16-12-21(6,7)24-22(8,9)13-16/h14-16,23-24H,10-13H2,1-9H3
InChIKeyZWNUSYHOKYAOIJ-UHFFFAOYSA-N
XLogP3.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 53.33
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-methylpropanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate (CID 14512544) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate is CC(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-methylpropanedioate?
The InChIKey is ZWNUSYHOKYAOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-14(17(25)27-15-10-19(2,3)23-20(4,5)11-15)18(26)28-16-12-21(6,7)24-22(8,9)13-16/h14-16,23-24H,10-13H2,1-9H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate has a molecular weight of 396.57 g/mol, XLogP of 3.33, 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-methylpropanedioate is sourced from PubChem (CID 14512544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).