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

C23H27NO4 — CID 571412

IUPAC(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-22(2)15-19(27-20(25)17-11-7-5-8-12-17)16-23(3,4)24(22)28-21(26)18-13-9-6-10-14-18/h5-14,19H,15-16H2,1-4H3
InChIKeyAURDTQQEKOMLAJ-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.64
Rot. Bonds4

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

(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate (PubChem CID 571412) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate.

Molecular Properties

Compound Name(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
PubChem CID571412
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-22(2)15-19(27-20(25)17-11-7-5-8-12-17)16-23(3,4)24(22)28-21(26)18-13-9-6-10-14-18/h5-14,19H,15-16H2,1-4H3
InChIKeyAURDTQQEKOMLAJ-UHFFFAOYSA-N
XLogP4.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The IUPAC name of (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate (CID 571412) is (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate.
What is the SMILES notation for (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The canonical SMILES for (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate is CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)c1ccccc1.
What is the InChIKey of (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The InChIKey is AURDTQQEKOMLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-22(2)15-19(27-20(25)17-11-7-5-8-12-17)16-23(3,4)24(22)28-21(26)18-13-9-6-10-14-18/h5-14,19H,15-16H2,1-4H3.
What are the key properties of (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate has a molecular weight of 381.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate is sourced from PubChem (CID 571412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).