1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine

C19H19FN6 — CID 6062005

IUPAC1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
SMILESFc1ccc(N2CCN(/C=C/c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H19FN6/c20-16-6-8-17(9-7-16)25-14-12-24(13-15-25)11-10-19-21-22-23-26(19)18-4-2-1-3-5-18/h1-11H,12-15H2/b11-10+
InChIKeyDFWKLZIHKXTKHP-ZHACJKMWSA-N
MW350.40 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine

1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine (PubChem CID 6062005) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
PubChem CID6062005
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
SMILESFc1ccc(N2CCN(/C=C/c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H19FN6/c20-16-6-8-17(9-7-16)25-14-12-24(13-15-25)11-10-19-21-22-23-26(19)18-4-2-1-3-5-18/h1-11H,12-15H2/b11-10+
InChIKeyDFWKLZIHKXTKHP-ZHACJKMWSA-N
XLogP2.59
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine (CID 6062005) is 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine is Fc1ccc(N2CCN(/C=C/c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine?
The InChIKey is DFWKLZIHKXTKHP-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H19FN6/c20-16-6-8-17(9-7-16)25-14-12-24(13-15-25)11-10-19-21-22-23-26(19)18-4-2-1-3-5-18/h1-11H,12-15H2/b11-10+.
What are the key properties of 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine?
1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine has a molecular weight of 350.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine is sourced from PubChem (CID 6062005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).