1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C₂₅H₃₃NO — CID 162127881

About 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 162127881) has the molecular formula C₂₅H₃₃NO and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
• PubChem CID: 162127881
• Molecular Formula: C₂₅H₃₃NO
• Molecular Weight: 363.55 g/mol
• Exact Mass: 363.26
• IUPAC Name: 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
• SMILES: CC1(C)CC(CC(=O)c2ccc(CCc3ccccc3)cc2)CC(C)(C)N1
• InChI: InChI=1S/C25H33NO/c1-24(2)17-21(18-25(3,4)26-24)16-23(27)22-14-12-20(13-15-22)11-10-19-8-6-5-7-9-19/h5-9,12-15,21,26H,10-11,16-18H2,1-4H3
• InChIKey: ZIGXVWQUQDBVBO-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.55
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?

The IUPAC name of 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 162127881) is 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

What is the SMILES notation for 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?

The canonical SMILES for 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CC1(C)CC(CC(=O)c2ccc(CCc3ccccc3)cc2)CC(C)(C)N1.

What is the InChIKey of 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?

The InChIKey is ZIGXVWQUQDBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-24(2)17-21(18-25(3,4)26-24)16-23(27)22-14-12-20(13-15-22)11-10-19-8-6-5-7-9-19/h5-9,12-15,21,26H,10-11,16-18H2,1-4H3.

What are the key properties of 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?

1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 363.55 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 162127881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162127881 — identifiers, structure, computed properties (public domain)

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