1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine

C15H17FN2S — CID 6456168

IUPAC1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C15H17FN2S/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2
InChIKeySELOTJITGCFZAN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine

1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 6456168) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine
PubChem CID6456168
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C15H17FN2S/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2
InChIKeySELOTJITGCFZAN-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine (CID 6456168) is 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine is Fc1ccc(N2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is SELOTJITGCFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2.
What are the key properties of 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine has a molecular weight of 276.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 6456168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).