1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine

C11H13BrCl2N2 — CID 107794385

IUPAC1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H13BrCl2N2/c1-7-6-15-4-5-16(7)9-3-2-8(12)10(13)11(9)14/h2-3,7,15H,4-6H2,1H3
InChIKeyYKTRDNAIUUOLHS-UHFFFAOYSA-N
MW324.05 g/mol
LogP3.55
Rot. Bonds1

About 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine

1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine (PubChem CID 107794385) has the molecular formula C11H13BrCl2N2 and a molecular weight of 324.05 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine
PubChem CID107794385
Molecular FormulaC11H13BrCl2N2
Molecular Weight324.05 g/mol
Exact Mass321.96
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H13BrCl2N2/c1-7-6-15-4-5-16(7)9-3-2-8(12)10(13)11(9)14/h2-3,7,15H,4-6H2,1H3
InChIKeyYKTRDNAIUUOLHS-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.05
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-methylpiperazine
CID 81271887
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
CID 107617353
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 96808511
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 107794409
1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine
CID 107594272
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873
(2S)-1-(4-bromo-3-methoxyphenyl)-2-methylpiperazine
CID 142683631
1-(4-chloro-2-nitrophenyl)-2-methylpiperazine
CID 62672836
(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine
CID 66835625
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylpiperazine
CID 64931337

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine (CID 107794385) is 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine is CC1CNCCN1c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine?
The InChIKey is YKTRDNAIUUOLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2/c1-7-6-15-4-5-16(7)9-3-2-8(12)10(13)11(9)14/h2-3,7,15H,4-6H2,1H3.
What are the key properties of 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine?
1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine has a molecular weight of 324.05 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine is sourced from PubChem (CID 107794385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).