1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine

C11H13BrClFN2 — CID 117492571

IUPAC1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine
SMILESFc1ccc(Cl)c(Br)c1CN1CCNCC1
InChIInChI=1S/C11H13BrClFN2/c12-11-8(10(14)2-1-9(11)13)7-16-5-3-15-4-6-16/h1-2,15H,3-7H2
InChIKeyLEXUXEMWHRFBLS-UHFFFAOYSA-N
MW307.59 g/mol
LogP2.65
Rot. Bonds2

About 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine

1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine (PubChem CID 117492571) has the molecular formula C11H13BrClFN2 and a molecular weight of 307.59 g/mol. Its IUPAC name is 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine
PubChem CID117492571
Molecular FormulaC11H13BrClFN2
Molecular Weight307.59 g/mol
Exact Mass305.99
IUPAC Name1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine
SMILESFc1ccc(Cl)c(Br)c1CN1CCNCC1
InChIInChI=1S/C11H13BrClFN2/c12-11-8(10(14)2-1-9(11)13)7-16-5-3-15-4-6-16/h1-2,15H,3-7H2
InChIKeyLEXUXEMWHRFBLS-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-[(3-bromo-4-fluoro-2-methylphenyl)methyl]piperazine
CID 84814024
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]piperazine
CID 117492577
5-chloro-4-fluoro-3-(piperazin-1-ylmethyl)benzene-1,2-diol
CID 117406163
1-[(2,3-dichloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 120834339
1-[(2-bromo-3,6-dimethylphenyl)methyl]piperazine
CID 84812650
3-chloro-6-methyl-2-(piperazin-1-ylmethyl)aniline
CID 82511287
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
CID 66842407
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
CID 117386874

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine (CID 117492571) is 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine is Fc1ccc(Cl)c(Br)c1CN1CCNCC1.
What is the InChIKey of 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine?
The InChIKey is LEXUXEMWHRFBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClFN2/c12-11-8(10(14)2-1-9(11)13)7-16-5-3-15-4-6-16/h1-2,15H,3-7H2.
What are the key properties of 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine?
1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine has a molecular weight of 307.59 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 117492571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).