bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate

C22H40N2O6 — CID 14512546

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate
SMILESCC(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C22H40N2O6/c1-14(17(25)29-15-10-19(2,3)23(27)20(4,5)11-15)18(26)30-16-12-21(6,7)24(28)22(8,9)13-16/h14-16,27-28H,10-13H2,1-9H3
InChIKeyYVSKTANXGKTRMQ-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.53
Rot. Bonds4

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate (PubChem CID 14512546) has the molecular formula C22H40N2O6 and a molecular weight of 428.57 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate
PubChem CID14512546
Molecular FormulaC22H40N2O6
Molecular Weight428.57 g/mol
Exact Mass428.29
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate
SMILESCC(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C22H40N2O6/c1-14(17(25)29-15-10-19(2,3)23(27)20(4,5)11-15)18(26)30-16-12-21(6,7)24(28)22(8,9)13-16/h14-16,27-28H,10-13H2,1-9H3
InChIKeyYVSKTANXGKTRMQ-UHFFFAOYSA-N
XLogP3.53
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate (CID 14512546) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate is CC(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate?
The InChIKey is YVSKTANXGKTRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O6/c1-14(17(25)29-15-10-19(2,3)23(27)20(4,5)11-15)18(26)30-16-12-21(6,7)24(28)22(8,9)13-16/h14-16,27-28H,10-13H2,1-9H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate has a molecular weight of 428.57 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylpropanedioate is sourced from PubChem (CID 14512546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).