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

C15H17FN2S — CID 763625

IUPAC1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESFc1ccc(N2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C15H17FN2S/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2
InChIKeyWRHLCVDDLDKASN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds3

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

1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 763625) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID763625
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESFc1ccc(N2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C15H17FN2S/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2
InChIKeyWRHLCVDDLDKASN-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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Related Compounds

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CID 27901
Methaphenilene
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CID 845054
1-(4-Fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine
CID 840243
1-(2-Fluoro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893389
1-(2-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763194
1-Phenyl-4-(thiophen-2-ylmethyl)piperazine
CID 763343
1-(4-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763774
1,3-Diphenyl-2-(thiophen-2-yl)imidazolidine
CID 830758
1-Phenyl-4-(thiolan-3-yl)piperazine
CID 2846707
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CID 16019107

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine (CID 763625) is 1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine is Fc1ccc(N2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is WRHLCVDDLDKASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(4-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-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 763625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).