1-(4-bromo-3-methylphenyl)piperazine;hydrochloride

C11H16BrClN2 — CID 21071017

IUPAC1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
SMILESCc1cc(N2CCNCC2)ccc1Br.Cl
InChIInChI=1S/C11H15BrN2.ClH/c1-9-8-10(2-3-11(9)12)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyPRBYRCRBYURQMR-UHFFFAOYSA-N
MW291.62 g/mol
LogP2.59
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride

1-(4-bromo-3-methylphenyl)piperazine;hydrochloride (PubChem CID 21071017) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
PubChem CID21071017
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
SMILESCc1cc(N2CCNCC2)ccc1Br.Cl
InChIInChI=1S/C11H15BrN2.ClH/c1-9-8-10(2-3-11(9)12)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyPRBYRCRBYURQMR-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-bromophenyl)piperazine;hydrochloride
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1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine
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CID 174496529
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride (CID 21071017) is 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride is Cc1cc(N2CCNCC2)ccc1Br.Cl.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride?
The InChIKey is PRBYRCRBYURQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2.ClH/c1-9-8-10(2-3-11(9)12)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H.
What are the key properties of 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride?
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride has a molecular weight of 291.62 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 21071017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).