1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one

C13H17BrN2O — CID 83559257

IUPAC1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1cccc(Br)c1)N1CCNCC1
InChIInChI=1S/C13H17BrN2O/c1-10(16-7-5-15-6-8-16)13(17)11-3-2-4-12(14)9-11/h2-4,9-10,15H,5-8H2,1H3
InChIKeyZQZGNVGSHBPBMS-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.93
Rot. Bonds3

About 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one

1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 83559257) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID83559257
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1cccc(Br)c1)N1CCNCC1
InChIInChI=1S/C13H17BrN2O/c1-10(16-7-5-15-6-8-16)13(17)11-3-2-4-12(14)9-11/h2-4,9-10,15H,5-8H2,1H3
InChIKeyZQZGNVGSHBPBMS-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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Related Compounds

1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
1-(4-bromo-3-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264459
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
(3-bromophenyl)methyl 2-piperazin-1-ylpropanoate
CID 82824066
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82265840
1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264084
2-(3-bromophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 141209754
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249
1-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-one
CID 45141805
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
CID 43806210

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one (CID 83559257) is 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one is CC(C(=O)c1cccc(Br)c1)N1CCNCC1.
What is the InChIKey of 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is ZQZGNVGSHBPBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-10(16-7-5-15-6-8-16)13(17)11-3-2-4-12(14)9-11/h2-4,9-10,15H,5-8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one?
1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one 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-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83559257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).