(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate

C23H27NO3 — CID 10904615

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2C(=O)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C23H27NO3/c1-22(2)14-17(15-23(3,4)24-22)27-21(26)19-13-9-8-12-18(19)20(25)16-10-6-5-7-11-16/h5-13,17,24H,14-15H2,1-4H3
InChIKeyIHVBYBQNOLEAHL-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.38
Rot. Bonds4

About (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate

(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate (PubChem CID 10904615) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate
PubChem CID10904615
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2C(=O)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C23H27NO3/c1-22(2)14-17(15-23(3,4)24-22)27-21(26)19-13-9-8-12-18(19)20(25)16-10-6-5-7-11-16/h5-13,17,24H,14-15H2,1-4H3
InChIKeyIHVBYBQNOLEAHL-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate (CID 10904615) is (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate is CC1(C)CC(OC(=O)c2ccccc2C(=O)c2ccccc2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate?
The InChIKey is IHVBYBQNOLEAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-22(2)14-17(15-23(3,4)24-22)27-21(26)19-13-9-8-12-18(19)20(25)16-10-6-5-7-11-16/h5-13,17,24H,14-15H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate has a molecular weight of 365.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 2-benzoylbenzoate is sourced from PubChem (CID 10904615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).