1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine

C15H17FN2S — CID 763194

IUPAC1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H17FN2S/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12H2
InChIKeyABPMRHGOCCQDFC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine

1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 763194) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID763194
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H17FN2S/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12H2
InChIKeyABPMRHGOCCQDFC-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-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine (CID 763194) is 1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine is Fc1ccccc1N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is ABPMRHGOCCQDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12H2.
What are the key properties of 1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(2-fluorophenyl)-4-(thiophen-2-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-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 763194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).