dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate

C15H27NO6 — CID 58369883

IUPACdimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate
SMILESCOC(=O)C(CON1C(C)(C)CC(O)CC1(C)C)C(=O)OC
InChIInChI=1S/C15H27NO6/c1-14(2)7-10(17)8-15(3,4)16(14)22-9-11(12(18)20-5)13(19)21-6/h10-11,17H,7-9H2,1-6H3
InChIKeyZPVALNVETBBPIS-UHFFFAOYSA-N
MW317.38 g/mol
LogP0.89
Rot. Bonds5

About dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate

dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate (PubChem CID 58369883) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate
PubChem CID58369883
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Namedimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate
SMILESCOC(=O)C(CON1C(C)(C)CC(O)CC1(C)C)C(=O)OC
InChIInChI=1S/C15H27NO6/c1-14(2)7-10(17)8-15(3,4)16(14)22-9-11(12(18)20-5)13(19)21-6/h10-11,17H,7-9H2,1-6H3
InChIKeyZPVALNVETBBPIS-UHFFFAOYSA-N
XLogP0.89
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate?
The IUPAC name of dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate (CID 58369883) is dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate?
The canonical SMILES for dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate is COC(=O)C(CON1C(C)(C)CC(O)CC1(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate?
The InChIKey is ZPVALNVETBBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c1-14(2)7-10(17)8-15(3,4)16(14)22-9-11(12(18)20-5)13(19)21-6/h10-11,17H,7-9H2,1-6H3.
What are the key properties of dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate?
dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate has a molecular weight of 317.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate is sourced from PubChem (CID 58369883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).