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

C13H17BrN2O — CID 116920117

IUPAC1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone
SMILESCN1CCNCC1CC(=O)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c1-16-7-6-15-9-10(16)8-13(17)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyFGNAZJOBBJDEAX-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.93
Rot. Bonds3

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

1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone (PubChem CID 116920117) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone
PubChem CID116920117
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone
SMILESCN1CCNCC1CC(=O)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c1-16-7-6-15-9-10(16)8-13(17)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyFGNAZJOBBJDEAX-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone (CID 116920117) is 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone is CN1CCNCC1CC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone?
The InChIKey is FGNAZJOBBJDEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16-7-6-15-9-10(16)8-13(17)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone?
1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone has a molecular weight of 297.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone is sourced from PubChem (CID 116920117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).