1-[(4-bromophenyl)methyl]piperazine

C11H15BrN2 — CID 876494

IUPAC1-[(4-bromophenyl)methyl]piperazine
SMILESBrc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H15BrN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyMAHWBNAOEVAPJF-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.85
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]piperazine

1-[(4-bromophenyl)methyl]piperazine (PubChem CID 876494) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]piperazine
PubChem CID876494
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-[(4-bromophenyl)methyl]piperazine
SMILESBrc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H15BrN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyMAHWBNAOEVAPJF-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]piperazine (CID 876494) is 1-[(4-bromophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]piperazine is Brc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]piperazine?
The InChIKey is MAHWBNAOEVAPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2.
What are the key properties of 1-[(4-bromophenyl)methyl]piperazine?
1-[(4-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-[(4-bromophenyl)methyl]piperazine is sourced from PubChem (CID 876494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).