2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone

C13H17BrN2O — CID 884392

IUPAC2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrN2O/c1-15-6-8-16(9-7-15)13(17)10-11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3
InChIKeyTUNHKTBVUHEJBA-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.77
Rot. Bonds2

About 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 884392) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID884392
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrN2O/c1-15-6-8-16(9-7-15)13(17)10-11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3
InChIKeyTUNHKTBVUHEJBA-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
2-[(4-bromophenyl)methylsulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 2972310
2-(4-bromophenyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395536
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771209
1-[4-[2-(4-bromophenyl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796892
2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186980
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-bromo-3-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 176516010
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
2-(4-bromophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534855

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 884392) is 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is TUNHKTBVUHEJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-15-6-8-16(9-7-15)13(17)10-11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 297.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 884392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).