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

C15H16BrFN2S — CID 3976059

IUPAC1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1C(c1ccc(Br)s1)N1CCNCC1
InChIInChI=1S/C15H16BrFN2S/c16-14-6-5-13(20-14)15(19-9-7-18-8-10-19)11-3-1-2-4-12(11)17/h1-6,15,18H,7-10H2
InChIKeyPHTYQKWFUURGBE-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.64
Rot. Bonds3

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

1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine (PubChem CID 3976059) has the molecular formula C15H16BrFN2S and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine
PubChem CID3976059
Molecular FormulaC15H16BrFN2S
Molecular Weight355.28 g/mol
Exact Mass354.02
IUPAC Name1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1C(c1ccc(Br)s1)N1CCNCC1
InChIInChI=1S/C15H16BrFN2S/c16-14-6-5-13(20-14)15(19-9-7-18-8-10-19)11-3-1-2-4-12(11)17/h1-6,15,18H,7-10H2
InChIKeyPHTYQKWFUURGBE-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.64
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-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine (CID 3976059) is 1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine is Fc1ccccc1C(c1ccc(Br)s1)N1CCNCC1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine?
The InChIKey is PHTYQKWFUURGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2S/c16-14-6-5-13(20-14)15(19-9-7-18-8-10-19)11-3-1-2-4-12(11)17/h1-6,15,18H,7-10H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine?
1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperazine has a molecular weight of 355.28 g/mol, XLogP of 3.64, 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-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 3976059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).