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

C14H25NO5 — CID 15550098

IUPACpropanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCCC(=O)OCOC(=O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H25NO5/c1-6-11(16)19-9-20-12(17)10-7-13(2,3)15(18)14(4,5)8-10/h10,18H,6-9H2,1-5H3
InChIKeyNTRIMIJQJSEOHG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.10
Rot. Bonds4

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

propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 15550098) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namepropanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID15550098
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Namepropanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCCC(=O)OCOC(=O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H25NO5/c1-6-11(16)19-9-20-12(17)10-7-13(2,3)15(18)14(4,5)8-10/h10,18H,6-9H2,1-5H3
InChIKeyNTRIMIJQJSEOHG-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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 propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 15550098) is propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is CCC(=O)OCOC(=O)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is NTRIMIJQJSEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-6-11(16)19-9-20-12(17)10-7-13(2,3)15(18)14(4,5)8-10/h10,18H,6-9H2,1-5H3.
What are the key properties of propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyloxymethyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 15550098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).