3-(4-bromophenyl)piperazin-2-one

C10H11BrN2O — CID 62351222

IUPAC3-(4-bromophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKeyCQRGSJDXPCSHAJ-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.21
Rot. Bonds1

About 3-(4-bromophenyl)piperazin-2-one

3-(4-bromophenyl)piperazin-2-one (PubChem CID 62351222) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-(4-bromophenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)piperazin-2-one
PubChem CID62351222
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name3-(4-bromophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKeyCQRGSJDXPCSHAJ-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)piperazin-2-one?
The IUPAC name of 3-(4-bromophenyl)piperazin-2-one (CID 62351222) is 3-(4-bromophenyl)piperazin-2-one.
What is the SMILES notation for 3-(4-bromophenyl)piperazin-2-one?
The canonical SMILES for 3-(4-bromophenyl)piperazin-2-one is O=C1NCCNC1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)piperazin-2-one?
The InChIKey is CQRGSJDXPCSHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14).
What are the key properties of 3-(4-bromophenyl)piperazin-2-one?
3-(4-bromophenyl)piperazin-2-one has a molecular weight of 255.11 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)piperazin-2-one is sourced from PubChem (CID 62351222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).