(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate

C18H25NO4 — CID 587733

IUPAC(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
SMILESCC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C18H25NO4/c1-13(20)23-19-17(2,3)11-15(12-18(19,4)5)22-16(21)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3
InChIKeyLHBSTAUWUDEKOE-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.34
Rot. Bonds3

About (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate

(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate (PubChem CID 587733) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate.

Molecular Properties

Compound Name(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
PubChem CID587733
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
SMILESCC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C18H25NO4/c1-13(20)23-19-17(2,3)11-15(12-18(19,4)5)22-16(21)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3
InChIKeyLHBSTAUWUDEKOE-UHFFFAOYSA-N
XLogP3.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The IUPAC name of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate (CID 587733) is (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate.
What is the SMILES notation for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The canonical SMILES for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate is CC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The InChIKey is LHBSTAUWUDEKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(20)23-19-17(2,3)11-15(12-18(19,4)5)22-16(21)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3.
What are the key properties of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate has a molecular weight of 319.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate is sourced from PubChem (CID 587733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).