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

C15H17FN2S — CID 28818943

IUPAC1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine
SMILESFc1ccccc1-c1ccc(CN2CCNCC2)s1
InChIInChI=1S/C15H17FN2S/c16-14-4-2-1-3-13(14)15-6-5-12(19-15)11-18-9-7-17-8-10-18/h1-6,17H,7-11H2
InChIKeyMAFYHQLPVBHQDK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.96
Rot. Bonds3

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

1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine (PubChem CID 28818943) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine
PubChem CID28818943
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine
SMILESFc1ccccc1-c1ccc(CN2CCNCC2)s1
InChIInChI=1S/C15H17FN2S/c16-14-4-2-1-3-13(14)15-6-5-12(19-15)11-18-9-7-17-8-10-18/h1-6,17H,7-11H2
InChIKeyMAFYHQLPVBHQDK-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine (CID 28818943) is 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine is Fc1ccccc1-c1ccc(CN2CCNCC2)s1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine?
The InChIKey is MAFYHQLPVBHQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-14-4-2-1-3-13(14)15-6-5-12(19-15)11-18-9-7-17-8-10-18/h1-6,17H,7-11H2.
What are the key properties of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine?
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine has a molecular weight of 276.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 28818943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).