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

C12H16BrClN2 — CID 81272288

IUPAC1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine
SMILESCC1CN(c2cc(Cl)ccc2Br)C(C)CN1
InChIInChI=1S/C12H16BrClN2/c1-8-7-16(9(2)6-15-8)12-5-10(14)3-4-11(12)13/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyDIPZPBFIEKTGFA-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.29
Rot. Bonds1

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

1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine (PubChem CID 81272288) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine
PubChem CID81272288
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine
SMILESCC1CN(c2cc(Cl)ccc2Br)C(C)CN1
InChIInChI=1S/C12H16BrClN2/c1-8-7-16(9(2)6-15-8)12-5-10(14)3-4-11(12)13/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyDIPZPBFIEKTGFA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine (CID 81272288) is 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine is CC1CN(c2cc(Cl)ccc2Br)C(C)CN1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine?
The InChIKey is DIPZPBFIEKTGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-8-7-16(9(2)6-15-8)12-5-10(14)3-4-11(12)13/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine?
1-(2-bromo-5-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-(2-bromo-5-chlorophenyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 81272288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).