1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine

C12H16BrClN2 — CID 82773468

IUPAC1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
SMILESCC(c1ccc(Br)cc1Cl)N1CCNCC1
InChIInChI=1S/C12H16BrClN2/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyZRRQZFKZAGMKKS-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.07
Rot. Bonds2

About 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine

1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine (PubChem CID 82773468) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
PubChem CID82773468
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
SMILESCC(c1ccc(Br)cc1Cl)N1CCNCC1
InChIInChI=1S/C12H16BrClN2/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyZRRQZFKZAGMKKS-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117109408
1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
1-[(1S)-1-(4-bromo-2-chlorophenyl)-3-fluoropropyl]piperazine
CID 171164041
1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride
CID 171289338
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731
1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
CID 131320342
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1R)-1-(2-bromo-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171288103
N-[[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 82778922
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
CID 171310107
1-[(1S)-1-(5-bromo-2-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171276906
1-[(1R)-1-[5-bromo-2-(trifluoromethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171170877

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine (CID 82773468) is 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine is CC(c1ccc(Br)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine?
The InChIKey is ZRRQZFKZAGMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine?
1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine has a molecular weight of 303.63 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine is sourced from PubChem (CID 82773468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).