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

C25H33NO — CID 162127881

IUPAC1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(CCc3ccccc3)cc2)CC(C)(C)N1
InChIInChI=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
InChIKeyZIGXVWQUQDBVBO-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.60
Rot. Bonds6

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 Name1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID162127881
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC Name1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(CCc3ccccc3)cc2)CC(C)(C)N1
InChIInChI=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
InChIKeyZIGXVWQUQDBVBO-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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).