1-[(2-bromophenyl)methyl]piperazine

C11H15BrN2 — CID 764713

IUPAC1-[(2-bromophenyl)methyl]piperazine
SMILESBrc1ccccc1CN1CCNCC1
InChIInChI=1S/C11H15BrN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyXVHSZKUVDNZYDF-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.85
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]piperazine

1-[(2-bromophenyl)methyl]piperazine (PubChem CID 764713) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]piperazine
PubChem CID764713
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-[(2-bromophenyl)methyl]piperazine
SMILESBrc1ccccc1CN1CCNCC1
InChIInChI=1S/C11H15BrN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyXVHSZKUVDNZYDF-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium
CID 2431
1-Benzylpiperazine
CID 75994
1-(3-Fluorobenzyl)piperazine
CID 903813
1-(4-Fluorobenzyl)piperazine
CID 796563
2-Bromo-N-methylbenzylamine
CID 522360
1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
2-(4-Benzylpiperazin-1-yl)ethan-1-amine
CID 2735331

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]piperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]piperazine (CID 764713) is 1-[(2-bromophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]piperazine is Brc1ccccc1CN1CCNCC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]piperazine?
The InChIKey is XVHSZKUVDNZYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2.
What are the key properties of 1-[(2-bromophenyl)methyl]piperazine?
1-[(2-bromophenyl)methyl]piperazine has a molecular weight of 255.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]piperazine is sourced from PubChem (CID 764713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).