1-[4-(bromomethyl)phenyl]-4-methylpiperazine

C12H17BrN2 — CID 106548265

IUPAC1-[4-(bromomethyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(CBr)cc2)CC1
InChIInChI=1S/C12H17BrN2/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-10H2,1H3
InChIKeyNCEZVVGNDJLODW-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.33
Rot. Bonds2

About 1-[4-(bromomethyl)phenyl]-4-methylpiperazine

1-[4-(bromomethyl)phenyl]-4-methylpiperazine (PubChem CID 106548265) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenyl]-4-methylpiperazine
PubChem CID106548265
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-[4-(bromomethyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(CBr)cc2)CC1
InChIInChI=1S/C12H17BrN2/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-10H2,1H3
InChIKeyNCEZVVGNDJLODW-UHFFFAOYSA-N
XLogP2.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
1-[4-(bromomethyl)phenyl]-4-(2-methylpropyl)piperazine
CID 107082857
[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
CID 135188571
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
1-[4-(bromomethyl)phenyl]-4,4-dimethylazepane
CID 107084123
4-[4-(bromomethyl)phenyl]-1,4-oxazepane
CID 107082990
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
CID 154724497
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(bromomethyl)phenyl]-4-methylpiperazine (CID 106548265) is 1-[4-(bromomethyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(bromomethyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(bromomethyl)phenyl]-4-methylpiperazine is CN1CCN(c2ccc(CBr)cc2)CC1.
What is the InChIKey of 1-[4-(bromomethyl)phenyl]-4-methylpiperazine?
The InChIKey is NCEZVVGNDJLODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-10H2,1H3.
What are the key properties of 1-[4-(bromomethyl)phenyl]-4-methylpiperazine?
1-[4-(bromomethyl)phenyl]-4-methylpiperazine has a molecular weight of 269.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 106548265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).