2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone

C26H27BrN2O2 — CID 68669758

IUPAC2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1Br)N1CCN(Cc2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C26H27BrN2O2/c27-24-13-7-8-14-25(24)31-20-26(30)29-16-15-28(18-22-11-5-2-6-12-22)19-23(29)17-21-9-3-1-4-10-21/h1-14,23H,15-20H2
InChIKeyZBFFEUGBKPAFRB-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.78
Rot. Bonds7

About 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone

2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone (PubChem CID 68669758) has the molecular formula C26H27BrN2O2 and a molecular weight of 479.42 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone
PubChem CID68669758
Molecular FormulaC26H27BrN2O2
Molecular Weight479.42 g/mol
Exact Mass478.13
IUPAC Name2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1Br)N1CCN(Cc2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C26H27BrN2O2/c27-24-13-7-8-14-25(24)31-20-26(30)29-16-15-28(18-22-11-5-2-6-12-22)19-23(29)17-21-9-3-1-4-10-21/h1-14,23H,15-20H2
InChIKeyZBFFEUGBKPAFRB-UHFFFAOYSA-N
XLogP4.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782147
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782146
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
[(2S)-2,4-dibenzylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 139757452
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
N-[1-[2-[3-[4-benzyl-2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide
CID 68669265
tert-butyl (2R)-4-benzyl-2-[[4-(trifluoromethylsulfonyloxy)phenyl]methyl]piperazine-1-carboxylate
CID 59324852
tert-butyl (2R)-4-benzyl-2-[(4-ethoxycarbonylphenyl)methyl]piperazine-1-carboxylate
CID 59324913
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-[2-[2-(2,4-dibenzylpiperazine-1-carbonyl)thiophen-3-yl]phenoxy]benzaldehyde
CID 76587188
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone (CID 68669758) is 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone is O=C(COc1ccccc1Br)N1CCN(Cc2ccccc2)CC1Cc1ccccc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone?
The InChIKey is ZBFFEUGBKPAFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O2/c27-24-13-7-8-14-25(24)31-20-26(30)29-16-15-28(18-22-11-5-2-6-12-22)19-23(29)17-21-9-3-1-4-10-21/h1-14,23H,15-20H2.
What are the key properties of 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone?
2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone has a molecular weight of 479.42 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-(2,4-dibenzylpiperazin-1-yl)ethanone is sourced from PubChem (CID 68669758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).