[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate

C24H31NO3 — CID 10959894

IUPAC[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate
SMILESCC1(C)CCCC(C)(C)N1OC(COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3/c1-23(2)16-11-17-24(3,4)25(23)28-21(19-12-7-5-8-13-19)18-27-22(26)20-14-9-6-10-15-20/h5-10,12-15,21H,11,16-18H2,1-4H3
InChIKeyOQLPQGIHIIPBCG-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.56
Rot. Bonds6

About [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate

[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate (PubChem CID 10959894) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate.

Molecular Properties

Compound Name[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate
PubChem CID10959894
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate
SMILESCC1(C)CCCC(C)(C)N1OC(COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3/c1-23(2)16-11-17-24(3,4)25(23)28-21(19-12-7-5-8-13-19)18-27-22(26)20-14-9-6-10-15-20/h5-10,12-15,21H,11,16-18H2,1-4H3
InChIKeyOQLPQGIHIIPBCG-UHFFFAOYSA-N
XLogP5.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate?
The IUPAC name of [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate (CID 10959894) is [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate.
What is the SMILES notation for [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate?
The canonical SMILES for [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate is CC1(C)CCCC(C)(C)N1OC(COC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate?
The InChIKey is OQLPQGIHIIPBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-23(2)16-11-17-24(3,4)25(23)28-21(19-12-7-5-8-13-19)18-27-22(26)20-14-9-6-10-15-20/h5-10,12-15,21H,11,16-18H2,1-4H3.
What are the key properties of [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate?
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate has a molecular weight of 381.52 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] benzoate is sourced from PubChem (CID 10959894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).