1-(4-bromophenyl)piperazine;hydrochloride

C10H14BrClN2 — CID 14422838

IUPAC1-(4-bromophenyl)piperazine;hydrochloride
SMILESBrc1ccc(N2CCNCC2)cc1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChIKeyYDVSFRZKQMQPJD-UHFFFAOYSA-N
MW277.59 g/mol
LogP2.28
Rot. Bonds1

About 1-(4-bromophenyl)piperazine;hydrochloride

1-(4-bromophenyl)piperazine;hydrochloride (PubChem CID 14422838) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is 1-(4-bromophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)piperazine;hydrochloride
PubChem CID14422838
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name1-(4-bromophenyl)piperazine;hydrochloride
SMILESBrc1ccc(N2CCNCC2)cc1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChIKeyYDVSFRZKQMQPJD-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)piperazine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)piperazine;hydrochloride (CID 14422838) is 1-(4-bromophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)piperazine;hydrochloride is Brc1ccc(N2CCNCC2)cc1.Cl.
What is the InChIKey of 1-(4-bromophenyl)piperazine;hydrochloride?
The InChIKey is YDVSFRZKQMQPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H.
What are the key properties of 1-(4-bromophenyl)piperazine;hydrochloride?
1-(4-bromophenyl)piperazine;hydrochloride has a molecular weight of 277.59 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)piperazine;hydrochloride is sourced from PubChem (CID 14422838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).