2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

C20H23BrN2O — CID 1346577

IUPAC2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1C
InChIInChI=1S/C20H23BrN2O/c1-15-4-3-5-19(16(15)2)22-10-12-23(13-11-22)20(24)14-17-6-8-18(21)9-7-17/h3-9H,10-14H2,1-2H3
InChIKeyBZMXBHLBYNEVBH-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 1346577) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
PubChem CID1346577
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC Name2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1C
InChIInChI=1S/C20H23BrN2O/c1-15-4-3-5-19(16(15)2)22-10-12-23(13-11-22)20(24)14-17-6-8-18(21)9-7-17/h3-9H,10-14H2,1-2H3
InChIKeyBZMXBHLBYNEVBH-UHFFFAOYSA-N
XLogP3.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (CID 1346577) is 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1C.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is BZMXBHLBYNEVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-15-4-3-5-19(16(15)2)22-10-12-23(13-11-22)20(24)14-17-6-8-18(21)9-7-17/h3-9H,10-14H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
2-(4-bromophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 387.32 g/mol, XLogP of 3.96, 3 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-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1346577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).