1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C17H19FN6S — CID 1447768

IUPAC1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1
InChIInChI=1S/C17H19FN6S/c18-14-3-5-15(6-4-14)23-9-7-22(8-10-23)13-17-19-20-21-24(17)12-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2
InChIKeyOCCXCSSYJILMBS-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 1447768) has the molecular formula C17H19FN6S and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID1447768
Molecular FormulaC17H19FN6S
Molecular Weight358.45 g/mol
Exact Mass358.14
IUPAC Name1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1
InChIInChI=1S/C17H19FN6S/c18-14-3-5-15(6-4-14)23-9-7-22(8-10-23)13-17-19-20-21-24(17)12-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2
InChIKeyOCCXCSSYJILMBS-UHFFFAOYSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 1447768) is 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is Fc1ccc(N2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is OCCXCSSYJILMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6S/c18-14-3-5-15(6-4-14)23-9-7-22(8-10-23)13-17-19-20-21-24(17)12-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 358.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 1447768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).