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

C24H25FN6S — CID 649400

IUPAC1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
SMILESFc1ccc(N2CCN(C(c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25FN6S/c25-20-8-10-21(11-9-20)29-14-16-30(17-15-29)23(22-7-4-18-32-22)24-26-27-28-31(24)13-12-19-5-2-1-3-6-19/h1-11,18,23H,12-17H2
InChIKeyGEKYGCMWODMRGE-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.03
Rot. Bonds7

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

1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine (PubChem CID 649400) has the molecular formula C24H25FN6S and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
PubChem CID649400
Molecular FormulaC24H25FN6S
Molecular Weight448.57 g/mol
Exact Mass448.18
IUPAC Name1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
SMILESFc1ccc(N2CCN(C(c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25FN6S/c25-20-8-10-21(11-9-20)29-14-16-30(17-15-29)23(22-7-4-18-32-22)24-26-27-28-31(24)13-12-19-5-2-1-3-6-19/h1-11,18,23H,12-17H2
InChIKeyGEKYGCMWODMRGE-UHFFFAOYSA-N
XLogP4.03
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.03
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-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine (CID 649400) is 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine is Fc1ccc(N2CCN(C(c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine?
The InChIKey is GEKYGCMWODMRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6S/c25-20-8-10-21(11-9-20)29-14-16-30(17-15-29)23(22-7-4-18-32-22)24-26-27-28-31(24)13-12-19-5-2-1-3-6-19/h1-11,18,23H,12-17H2.
What are the key properties of 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine?
1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine has a molecular weight of 448.57 g/mol, XLogP of 4.03, 7 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-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).