1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine

C15H17FN2S — CID 28819331

IUPAC1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine
SMILESFc1cccc(-c2ccc(CN3CCNCC3)s2)c1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2
InChIKeyNBPPEKAUGDVWRK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.96
Rot. Bonds3

About 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine

1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine (PubChem CID 28819331) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine
PubChem CID28819331
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine
SMILESFc1cccc(-c2ccc(CN3CCNCC3)s2)c1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2
InChIKeyNBPPEKAUGDVWRK-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-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine (CID 28819331) is 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine is Fc1cccc(-c2ccc(CN3CCNCC3)s2)c1.
What is the InChIKey of 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine?
The InChIKey is NBPPEKAUGDVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2.
What are the key properties of 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine?
1-[[5-(3-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-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 28819331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).