1-[(4-bromophenyl)-phenylmethyl]piperazine

C17H19BrN2 — CID 3704699

IUPAC1-[(4-bromophenyl)-phenylmethyl]piperazine
SMILESBrc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C17H19BrN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKeyRMXZOOYQUFHRPE-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.44
Rot. Bonds3

About 1-[(4-bromophenyl)-phenylmethyl]piperazine

1-[(4-bromophenyl)-phenylmethyl]piperazine (PubChem CID 3704699) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-phenylmethyl]piperazine
PubChem CID3704699
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name1-[(4-bromophenyl)-phenylmethyl]piperazine
SMILESBrc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C17H19BrN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKeyRMXZOOYQUFHRPE-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)-phenylmethyl]piperazine (CID 3704699) is 1-[(4-bromophenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)-phenylmethyl]piperazine is Brc1ccc(C(c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)-phenylmethyl]piperazine?
The InChIKey is RMXZOOYQUFHRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2.
What are the key properties of 1-[(4-bromophenyl)-phenylmethyl]piperazine?
1-[(4-bromophenyl)-phenylmethyl]piperazine has a molecular weight of 331.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 3704699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).