1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine

C15H16BrClN2S — CID 1067928

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1
InChIInChI=1S/C15H16BrClN2S/c16-15-6-5-14(20-15)11-18-7-9-19(10-8-18)13-3-1-12(17)2-4-13/h1-6H,7-11H2
InChIKeyOPWODRHMCLEXSM-UHFFFAOYSA-N
MW371.73 g/mol
LogP4.49
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine

1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine (PubChem CID 1067928) has the molecular formula C15H16BrClN2S and a molecular weight of 371.73 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
PubChem CID1067928
Molecular FormulaC15H16BrClN2S
Molecular Weight371.73 g/mol
Exact Mass369.99
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1
InChIInChI=1S/C15H16BrClN2S/c16-15-6-5-14(20-15)11-18-7-9-19(10-8-18)13-3-1-12(17)2-4-13/h1-6H,7-11H2
InChIKeyOPWODRHMCLEXSM-UHFFFAOYSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine (CID 1067928) is 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine is Clc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The InChIKey is OPWODRHMCLEXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2S/c16-15-6-5-14(20-15)11-18-7-9-19(10-8-18)13-3-1-12(17)2-4-13/h1-6H,7-11H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine has a molecular weight of 371.73 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine is sourced from PubChem (CID 1067928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).