1-[(4-bromophenyl)methyl]-4-phenylpiperazine

C17H19BrN2 — CID 764228

IUPAC1-[(4-bromophenyl)methyl]-4-phenylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19BrN2/c18-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyWRAPDKOLIXFVMT-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.77
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-4-phenylpiperazine

1-[(4-bromophenyl)methyl]-4-phenylpiperazine (PubChem CID 764228) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-phenylpiperazine
PubChem CID764228
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name1-[(4-bromophenyl)methyl]-4-phenylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19BrN2/c18-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyWRAPDKOLIXFVMT-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-phenylpiperazine (CID 764228) is 1-[(4-bromophenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-phenylpiperazine is Brc1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-phenylpiperazine?
The InChIKey is WRAPDKOLIXFVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c18-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)17-4-2-1-3-5-17/h1-9H,10-14H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-phenylpiperazine?
1-[(4-bromophenyl)methyl]-4-phenylpiperazine has a molecular weight of 331.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 764228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).