3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate

C14H25NO5 — CID 21136454

IUPAC3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate
SMILESCOC(=O)CC(=O)OCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H25NO5/c1-13(2)7-10(16)8-14(3,4)15(13)9-20-12(18)6-11(17)19-5/h10,16H,6-9H2,1-5H3
InChIKeyMKVXVJSRTJKVHW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.06
Rot. Bonds4

About 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate

3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate (PubChem CID 21136454) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate.

Molecular Properties

Compound Name3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate
PubChem CID21136454
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate
SMILESCOC(=O)CC(=O)OCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H25NO5/c1-13(2)7-10(16)8-14(3,4)15(13)9-20-12(18)6-11(17)19-5/h10,16H,6-9H2,1-5H3
InChIKeyMKVXVJSRTJKVHW-UHFFFAOYSA-N
XLogP1.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate?
The IUPAC name of 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate (CID 21136454) is 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate.
What is the SMILES notation for 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate?
The canonical SMILES for 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate is COC(=O)CC(=O)OCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate?
The InChIKey is MKVXVJSRTJKVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2)7-10(16)8-14(3,4)15(13)9-20-12(18)6-11(17)19-5/h10,16H,6-9H2,1-5H3.
What are the key properties of 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate?
3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate has a molecular weight of 287.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate is sourced from PubChem (CID 21136454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).