methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate

C22H33NO5 — CID 101430931

IUPACmethyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate
SMILESCOC(=O)c1ccccc1CC(COC(C)=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C22H33NO5/c1-16(24)27-15-18(14-17-10-7-8-11-19(17)20(25)26-6)28-23-21(2,3)12-9-13-22(23,4)5/h7-8,10-11,18H,9,12-15H2,1-6H3
InChIKeyRJENIECFFKJNFF-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.92
Rot. Bonds7

About methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate

methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate (PubChem CID 101430931) has the molecular formula C22H33NO5 and a molecular weight of 391.51 g/mol. Its IUPAC name is methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate
PubChem CID101430931
Molecular FormulaC22H33NO5
Molecular Weight391.51 g/mol
Exact Mass391.24
IUPAC Namemethyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate
SMILESCOC(=O)c1ccccc1CC(COC(C)=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C22H33NO5/c1-16(24)27-15-18(14-17-10-7-8-11-19(17)20(25)26-6)28-23-21(2,3)12-9-13-22(23,4)5/h7-8,10-11,18H,9,12-15H2,1-6H3
InChIKeyRJENIECFFKJNFF-UHFFFAOYSA-N
XLogP3.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate with MolForge

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Related Compounds

1-(Benzoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl acetate
CID 569354
1-(Acetyloxy)-2,2,6,6-tetramethylpiperidin-4-yl benzoate
CID 587733
4-hydroxy-TEMPO benzoate
CID 2847363
4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl
CID 3035630
11-(15-butyl-13-ethyl-tetrahydro-12-oxo-2H-pyran-13-yl) propyl-2-methylbenzoate
CID 156581623
N-(2-benzoyloxy-1-phenylethoxy)-2,2,6,6-tetramethylpiperidine
CID 10959894
1-(Benzoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl benzoate
CID 571412
1-Hydroxy-4-benzoyloxy-2,2,6,6-tetramethylpiperidine
CID 688178
Di(2,2,6,6-tetramethyl-1-oxyl-4-piperidyl) phthalate
CID 1222549
2,2,6,6-Tetramethyl-4-benzoyloxypiperidine 1-oxide
CID 21421452
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-cyclohepta-2,4,6-trien-1-yl-2-fluorobenzoate
CID 129205878
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(2-cyclohepta-2,4,6-trien-1-ylethyl)-2-fluorobenzoate
CID 129206467

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate?
The IUPAC name of methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate (CID 101430931) is methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate.
What is the SMILES notation for methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate?
The canonical SMILES for methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate is COC(=O)c1ccccc1CC(COC(C)=O)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate?
The InChIKey is RJENIECFFKJNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO5/c1-16(24)27-15-18(14-17-10-7-8-11-19(17)20(25)26-6)28-23-21(2,3)12-9-13-22(23,4)5/h7-8,10-11,18H,9,12-15H2,1-6H3.
What are the key properties of methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate?
methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate has a molecular weight of 391.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-acetyloxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]benzoate is sourced from PubChem (CID 101430931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).