1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone

C21H26N2O2 — CID 2476156

IUPAC1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-2-19-10-6-7-11-20(19)25-17-21(24)23-14-12-22(13-15-23)16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3
InChIKeyJYKPVMWGYYJVEE-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.97
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone

1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone (PubChem CID 2476156) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
PubChem CID2476156
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-2-19-10-6-7-11-20(19)25-17-21(24)23-14-12-22(13-15-23)16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3
InChIKeyJYKPVMWGYYJVEE-UHFFFAOYSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55495246
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
2-(2-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297256
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55479799
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
CID 60529408
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 22264488
2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045109
prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569944
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone (CID 2476156) is 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone is CCc1ccccc1OCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone?
The InChIKey is JYKPVMWGYYJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-19-10-6-7-11-20(19)25-17-21(24)23-14-12-22(13-15-23)16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone has a molecular weight of 338.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone is sourced from PubChem (CID 2476156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).