1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone

C22H28N2O2 — CID 132515901

IUPAC1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone
SMILESCC1(C)CNCC(C)(C)N1OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-21(2)15-23-16-22(3,4)24(21)26-14-20(25)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,23H,14-16H2,1-4H3
InChIKeyLSEIRTONNRYNFE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.93
Rot. Bonds5

About 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone

1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone (PubChem CID 132515901) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone
PubChem CID132515901
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone
SMILESCC1(C)CNCC(C)(C)N1OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-21(2)15-23-16-22(3,4)24(21)26-14-20(25)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,23H,14-16H2,1-4H3
InChIKeyLSEIRTONNRYNFE-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
CID 602375
2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone
CID 22237342
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate
CID 2505227
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
[2-oxo-2-(4-phenylphenyl)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385525
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[(3aR,4S,7aS)-4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate
CID 1216954
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone?
The IUPAC name of 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone (CID 132515901) is 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone.
What is the SMILES notation for 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone?
The canonical SMILES for 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone is CC1(C)CNCC(C)(C)N1OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone?
The InChIKey is LSEIRTONNRYNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-21(2)15-23-16-22(3,4)24(21)26-14-20(25)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,23H,14-16H2,1-4H3.
What are the key properties of 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone?
1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone has a molecular weight of 352.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone is sourced from PubChem (CID 132515901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).