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

C15H15BrF2N2S — CID 3322766

IUPAC1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc(C(c2ccc(Br)s2)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H15BrF2N2S/c16-14-4-3-13(21-14)15(20-7-5-19-6-8-20)11-2-1-10(17)9-12(11)18/h1-4,9,15,19H,5-8H2
InChIKeyMQQVMASTGIWEPD-UHFFFAOYSA-N
MW373.27 g/mol
LogP3.78
Rot. Bonds3

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

1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine (PubChem CID 3322766) has the molecular formula C15H15BrF2N2S and a molecular weight of 373.27 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine
PubChem CID3322766
Molecular FormulaC15H15BrF2N2S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC Name1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc(C(c2ccc(Br)s2)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H15BrF2N2S/c16-14-4-3-13(21-14)15(20-7-5-19-6-8-20)11-2-1-10(17)9-12(11)18/h1-4,9,15,19H,5-8H2
InChIKeyMQQVMASTGIWEPD-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine (CID 3322766) is 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine is Fc1ccc(C(c2ccc(Br)s2)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine?
The InChIKey is MQQVMASTGIWEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2S/c16-14-4-3-13(21-14)15(20-7-5-19-6-8-20)11-2-1-10(17)9-12(11)18/h1-4,9,15,19H,5-8H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine?
1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine has a molecular weight of 373.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)-(2,4-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 3322766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).