1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine

C12H16BrClN2 — CID 107617341

IUPAC1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine
SMILESCC1CN(c2ccc(Br)c(Cl)c2)C(C)CN1
InChIInChI=1S/C12H16BrClN2/c1-8-7-16(9(2)6-15-8)10-3-4-11(13)12(14)5-10/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyQUTQXQYBBABKBU-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.29
Rot. Bonds1

About 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine

1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine (PubChem CID 107617341) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine
PubChem CID107617341
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine
SMILESCC1CN(c2ccc(Br)c(Cl)c2)C(C)CN1
InChIInChI=1S/C12H16BrClN2/c1-8-7-16(9(2)6-15-8)10-3-4-11(13)12(14)5-10/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyQUTQXQYBBABKBU-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
1-(4-chlorophenyl)-2,5-dimethylpiperazine
CID 11572115
(2S,5R)-1-(4-bromophenyl)-2,5-dimethylpiperazine
CID 95472777
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
CID 107617353
1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine
CID 81272288
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
2,5-dimethyl-1-pyridin-4-ylpiperazine
CID 64983891
2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 11565121
(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 70804072
1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
CID 64938465

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine (CID 107617341) is 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine is CC1CN(c2ccc(Br)c(Cl)c2)C(C)CN1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine?
The InChIKey is QUTQXQYBBABKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-8-7-16(9(2)6-15-8)10-3-4-11(13)12(14)5-10/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine?
1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine has a molecular weight of 303.63 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 107617341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).