1-(2-bromophenyl)-3-methyl-3-phenylpiperazine

C17H19BrN2 — CID 64925876

IUPAC1-(2-bromophenyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(c2ccccc2Br)CCN1
InChIInChI=1S/C17H19BrN2/c1-17(14-7-3-2-4-8-14)13-20(12-11-19-17)16-10-6-5-9-15(16)18/h2-10,19H,11-13H2,1H3
InChIKeyCTEIXBCXDMRTEG-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.77
Rot. Bonds2

About 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine

1-(2-bromophenyl)-3-methyl-3-phenylpiperazine (PubChem CID 64925876) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-methyl-3-phenylpiperazine
PubChem CID64925876
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name1-(2-bromophenyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(c2ccccc2Br)CCN1
InChIInChI=1S/C17H19BrN2/c1-17(14-7-3-2-4-8-14)13-20(12-11-19-17)16-10-6-5-9-15(16)18/h2-10,19H,11-13H2,1H3
InChIKeyCTEIXBCXDMRTEG-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine (CID 64925876) is 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine is CC1(c2ccccc2)CN(c2ccccc2Br)CCN1.
What is the InChIKey of 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine?
The InChIKey is CTEIXBCXDMRTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-17(14-7-3-2-4-8-14)13-20(12-11-19-17)16-10-6-5-9-15(16)18/h2-10,19H,11-13H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine?
1-(2-bromophenyl)-3-methyl-3-phenylpiperazine has a molecular weight of 331.26 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64925876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).