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

C18H21BrN2 — CID 64938854

IUPAC1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine
SMILESCc1cc(Br)ccc1N1CC(C)NCC1c1ccccc1
InChIInChI=1S/C18H21BrN2/c1-13-10-16(19)8-9-17(13)21-12-14(2)20-11-18(21)15-6-4-3-5-7-15/h3-10,14,18,20H,11-12H2,1-2H3
InChIKeyPUBCNNYBISEATD-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.30
Rot. Bonds2

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

1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine (PubChem CID 64938854) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine
PubChem CID64938854
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine
SMILESCc1cc(Br)ccc1N1CC(C)NCC1c1ccccc1
InChIInChI=1S/C18H21BrN2/c1-13-10-16(19)8-9-17(13)21-12-14(2)20-11-18(21)15-6-4-3-5-7-15/h3-10,14,18,20H,11-12H2,1-2H3
InChIKeyPUBCNNYBISEATD-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromo-2-methylphenyl)-5-methylpiperazin-2-yl]acetic acid
CID 84607934
1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine
CID 64936803
1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine
CID 64937541
1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine
CID 107603931
1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
CID 64937509
1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
CID 64938465
1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine
CID 64934541
5-methyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine
CID 79787047
5-bromo-2-(2,5-dimethylpiperazin-1-yl)benzonitrile
CID 114894043
1-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64954274
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937159
(2S,5R)-1-(4-bromophenyl)-2,5-dimethylpiperazine
CID 95472777

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine (CID 64938854) is 1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine is Cc1cc(Br)ccc1N1CC(C)NCC1c1ccccc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine?
The InChIKey is PUBCNNYBISEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-13-10-16(19)8-9-17(13)21-12-14(2)20-11-18(21)15-6-4-3-5-7-15/h3-10,14,18,20H,11-12H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine?
1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine has a molecular weight of 345.28 g/mol, XLogP of 4.30, 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-methylphenyl)-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 64938854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).