1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone

C21H26N2O2 — CID 2709723

IUPAC1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(OCC(=O)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-16-13-17(2)21(18(3)14-16)25-15-20(24)23-11-9-22(10-12-23)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyLPHKDSFRYAKCOO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone

1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone (PubChem CID 2709723) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
PubChem CID2709723
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(OCC(=O)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-16-13-17(2)21(18(3)14-16)25-15-20(24)23-11-9-22(10-12-23)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyLPHKDSFRYAKCOO-UHFFFAOYSA-N
XLogP3.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone with MolForge

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Related Compounds

2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-(2,4-dimethylphenoxy)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 78777639
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
N-(3,5-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 4010850
2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9048338
2-(2,4-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 965458
2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41162791

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone (CID 2709723) is 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone is Cc1cc(C)c(OCC(=O)N2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone?
The InChIKey is LPHKDSFRYAKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-13-17(2)21(18(3)14-16)25-15-20(24)23-11-9-22(10-12-23)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone?
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone has a molecular weight of 338.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone is sourced from PubChem (CID 2709723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).