1-(3-bromophenyl)-4-methylpiperazine

C11H15BrN2 — CID 53415329

IUPAC1-(3-bromophenyl)-4-methylpiperazine
SMILESCN1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C11H15BrN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
InChIKeyHJRZEXYEOXVFGH-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.20
Rot. Bonds1

About 1-(3-bromophenyl)-4-methylpiperazine

1-(3-bromophenyl)-4-methylpiperazine (PubChem CID 53415329) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-methylpiperazine
PubChem CID53415329
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-(3-bromophenyl)-4-methylpiperazine
SMILESCN1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C11H15BrN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
InChIKeyHJRZEXYEOXVFGH-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
4-bromo-N,N-dimethylaniline
CID 11465
Benzenamine, 4-bromo-N,N-diethyl-
CID 16328
Dimethylphenylpiperazinium
CID 1316
1-Phenyl-4-propylpiperazine
CID 422923
N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 687138
Piperazine, 1-methyl-4-phenyl-
CID 200991
tert-Butyl 4-(3-bromophenyl)piperazine-1-carboxylate
CID 10882380
2-Bromo-N,N-dimethylaniline
CID 136527
1-(4-Iodophenyl)-4-Methylpiperazine
CID 44118674
3-Bromo-N,N-dimethylaniline
CID 140102
3,4-dibromo-N,N-dimethylaniline
CID 12288595

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-methylpiperazine?
The IUPAC name of 1-(3-bromophenyl)-4-methylpiperazine (CID 53415329) is 1-(3-bromophenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-bromophenyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-bromophenyl)-4-methylpiperazine is CN1CCN(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-4-methylpiperazine?
The InChIKey is HJRZEXYEOXVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-4-methylpiperazine?
1-(3-bromophenyl)-4-methylpiperazine has a molecular weight of 255.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-methylpiperazine is sourced from PubChem (CID 53415329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).