1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine

C17H18BrClN2 — CID 64934541

IUPAC1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1c1ccc(Br)cc1Cl
InChIInChI=1S/C17H18BrClN2/c1-12-10-20-16(13-5-3-2-4-6-13)11-21(12)17-8-7-14(18)9-15(17)19/h2-9,12,16,20H,10-11H2,1H3
InChIKeySFXMTHHGRBNUMT-UHFFFAOYSA-N
MW365.70 g/mol
LogP4.64
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine

1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine (PubChem CID 64934541) has the molecular formula C17H18BrClN2 and a molecular weight of 365.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine
PubChem CID64934541
Molecular FormulaC17H18BrClN2
Molecular Weight365.70 g/mol
Exact Mass364.03
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1c1ccc(Br)cc1Cl
InChIInChI=1S/C17H18BrClN2/c1-12-10-20-16(13-5-3-2-4-6-13)11-21(12)17-8-7-14(18)9-15(17)19/h2-9,12,16,20H,10-11H2,1H3
InChIKeySFXMTHHGRBNUMT-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine (CID 64934541) is 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine is CC1CNC(c2ccccc2)CN1c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine?
The InChIKey is SFXMTHHGRBNUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2/c1-12-10-20-16(13-5-3-2-4-6-13)11-21(12)17-8-7-14(18)9-15(17)19/h2-9,12,16,20H,10-11H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine?
1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine has a molecular weight of 365.70 g/mol, XLogP of 4.64, 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-chlorophenyl)-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 64934541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).