1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine

C17H18BrClN2 — CID 64952590

IUPAC1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(c2cc(Br)ccc2Cl)CCN1
InChIInChI=1S/C17H18BrClN2/c1-17(13-5-3-2-4-6-13)12-21(10-9-20-17)16-11-14(18)7-8-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyAEEPBHKSRDXRAF-UHFFFAOYSA-N
MW365.70 g/mol
LogP4.43
Rot. Bonds2

About 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine

1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine (PubChem CID 64952590) has the molecular formula C17H18BrClN2 and a molecular weight of 365.70 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine
PubChem CID64952590
Molecular FormulaC17H18BrClN2
Molecular Weight365.70 g/mol
Exact Mass364.03
IUPAC Name1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(c2cc(Br)ccc2Cl)CCN1
InChIInChI=1S/C17H18BrClN2/c1-17(13-5-3-2-4-6-13)12-21(10-9-20-17)16-11-14(18)7-8-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyAEEPBHKSRDXRAF-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-methyl-3-phenylpiperazine
CID 64925876
1-(2,3-dichlorophenyl)-3-methyl-3-phenylpiperazine
CID 64924892
1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine
CID 64925327
1-(3,5-dichlorophenyl)-3-methyl-3-phenylpiperazine
CID 64926056
1-(4-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64924864
1-(3-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64923880
1-(4-bromophenyl)-3-methyl-3-phenyl-1,4-diazepane
CID 64944364
1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine
CID 64924832
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64949392
1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine
CID 64832086
1-(3-bromo-4-fluorophenyl)-3-methyl-3-phenylpiperazine
CID 104781762
1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine
CID 64925092

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine (CID 64952590) is 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine is CC1(c2ccccc2)CN(c2cc(Br)ccc2Cl)CCN1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine?
The InChIKey is AEEPBHKSRDXRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2/c1-17(13-5-3-2-4-6-13)12-21(10-9-20-17)16-11-14(18)7-8-15(16)19/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine?
1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine has a molecular weight of 365.70 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64952590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).