acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

C13H23NO5 — CID 15550092

IUPACacetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC(=O)OCOC(=O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H23NO5/c1-9(15)18-8-19-11(16)10-6-12(2,3)14(17)13(4,5)7-10/h10,17H,6-8H2,1-5H3
InChIKeyJOVQNTDHTZADOG-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.71
Rot. Bonds3

About acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 15550092) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameacetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID15550092
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nameacetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC(=O)OCOC(=O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H23NO5/c1-9(15)18-8-19-11(16)10-6-12(2,3)14(17)13(4,5)7-10/h10,17H,6-8H2,1-5H3
InChIKeyJOVQNTDHTZADOG-UHFFFAOYSA-N
XLogP1.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 15550092) is acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is CC(=O)OCOC(=O)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is JOVQNTDHTZADOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-9(15)18-8-19-11(16)10-6-12(2,3)14(17)13(4,5)7-10/h10,17H,6-8H2,1-5H3.
What are the key properties of acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 15550092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).