1-(3-bromo-2-methylphenyl)piperazine;hydrochloride

C11H16BrClN2 — CID 122512167

IUPAC1-(3-bromo-2-methylphenyl)piperazine;hydrochloride
SMILESCc1c(Br)cccc1N1CCNCC1.Cl
InChIInChI=1S/C11H15BrN2.ClH/c1-9-10(12)3-2-4-11(9)14-7-5-13-6-8-14;/h2-4,13H,5-8H2,1H3;1H
InChIKeyKMYSPVKDTANOSP-UHFFFAOYSA-N
MW291.62 g/mol
LogP2.59
Rot. Bonds1

About 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride

1-(3-bromo-2-methylphenyl)piperazine;hydrochloride (PubChem CID 122512167) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)piperazine;hydrochloride
PubChem CID122512167
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name1-(3-bromo-2-methylphenyl)piperazine;hydrochloride
SMILESCc1c(Br)cccc1N1CCNCC1.Cl
InChIInChI=1S/C11H15BrN2.ClH/c1-9-10(12)3-2-4-11(9)14-7-5-13-6-8-14;/h2-4,13H,5-8H2,1H3;1H
InChIKeyKMYSPVKDTANOSP-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride (CID 122512167) is 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride is Cc1c(Br)cccc1N1CCNCC1.Cl.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride?
The InChIKey is KMYSPVKDTANOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2.ClH/c1-9-10(12)3-2-4-11(9)14-7-5-13-6-8-14;/h2-4,13H,5-8H2,1H3;1H.
What are the key properties of 1-(3-bromo-2-methylphenyl)piperazine;hydrochloride?
1-(3-bromo-2-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-(3-bromo-2-methylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 122512167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).