1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine

C17H18BrClN2 — CID 5171490

IUPAC1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine
SMILESClc1ccc(C(c2ccc(Br)cc2)N2CCNCC2)cc1
InChIInChI=1S/C17H18BrClN2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
InChIKeyZEERMATYAKOGKR-UHFFFAOYSA-N
MW365.70 g/mol
LogP4.10
Rot. Bonds3

About 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine

1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine (PubChem CID 5171490) has the molecular formula C17H18BrClN2 and a molecular weight of 365.70 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine
PubChem CID5171490
Molecular FormulaC17H18BrClN2
Molecular Weight365.70 g/mol
Exact Mass364.03
IUPAC Name1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine
SMILESClc1ccc(C(c2ccc(Br)cc2)N2CCNCC2)cc1
InChIInChI=1S/C17H18BrClN2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
InChIKeyZEERMATYAKOGKR-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine (CID 5171490) is 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine is Clc1ccc(C(c2ccc(Br)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine?
The InChIKey is ZEERMATYAKOGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2.
What are the key properties of 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine?
1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine has a molecular weight of 365.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 5171490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).