1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine

C13H17BrCl2N2 — CID 114002209

IUPAC1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H17BrCl2N2/c1-3-9-6-17-8(2)7-18(9)11-5-4-10(14)12(15)13(11)16/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyZZGZBPOIKLYDPT-UHFFFAOYSA-N
MW352.10 g/mol
LogP4.33
Rot. Bonds2

About 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine

1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine (PubChem CID 114002209) has the molecular formula C13H17BrCl2N2 and a molecular weight of 352.10 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine
PubChem CID114002209
Molecular FormulaC13H17BrCl2N2
Molecular Weight352.10 g/mol
Exact Mass350.00
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H17BrCl2N2/c1-3-9-6-17-8(2)7-18(9)11-5-4-10(14)12(15)13(11)16/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyZZGZBPOIKLYDPT-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 54.33
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-(5-bromo-2,4-difluorophenyl)-2-ethyl-5-methylpiperazine
CID 102855209
3-bromo-8-(2-ethyl-5-methylpiperazin-1-yl)quinoline
CID 116785676
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64954694
2-ethyl-1-[2-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64936592
1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine
CID 107794385
1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 107794409
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
CID 82758286
1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine
CID 81272288
4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 64936346
1-(4-bromo-2,3-dichlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 107794416
2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64938560
2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
CID 64939128

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine (CID 114002209) is 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine is CCC1CNC(C)CN1c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The InChIKey is ZZGZBPOIKLYDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2/c1-3-9-6-17-8(2)7-18(9)11-5-4-10(14)12(15)13(11)16/h4-5,8-9,17H,3,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine?
1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine has a molecular weight of 352.10 g/mol, XLogP of 4.33, 2 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-ethyl-5-methylpiperazine is sourced from PubChem (CID 114002209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).