1-[bromo(phenyl)methyl]piperazine

C11H15BrN2 — CID 174618409

IUPAC1-[bromo(phenyl)methyl]piperazine
SMILESBrC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C11H15BrN2/c12-11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2
InChIKeyWQFGMHTYWRATLR-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.99
Rot. Bonds2

About 1-[bromo(phenyl)methyl]piperazine

1-[bromo(phenyl)methyl]piperazine (PubChem CID 174618409) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-[bromo(phenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[bromo(phenyl)methyl]piperazine
PubChem CID174618409
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-[bromo(phenyl)methyl]piperazine
SMILESBrC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C11H15BrN2/c12-11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2
InChIKeyWQFGMHTYWRATLR-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

phenyl(piperazin-1-yl)methanol
CID 23037926
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-(2-chloro-1-phenylethyl)piperazine
CID 59260605
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
2-phenyl-2-piperazin-1-ylacetyl fluoride
CID 90420857

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(phenyl)methyl]piperazine?
The IUPAC name of 1-[bromo(phenyl)methyl]piperazine (CID 174618409) is 1-[bromo(phenyl)methyl]piperazine.
What is the SMILES notation for 1-[bromo(phenyl)methyl]piperazine?
The canonical SMILES for 1-[bromo(phenyl)methyl]piperazine is BrC(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[bromo(phenyl)methyl]piperazine?
The InChIKey is WQFGMHTYWRATLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2.
What are the key properties of 1-[bromo(phenyl)methyl]piperazine?
1-[bromo(phenyl)methyl]piperazine has a molecular weight of 255.16 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(phenyl)methyl]piperazine is sourced from PubChem (CID 174618409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).