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

C20H21FN6 — CID 6267908

IUPAC1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine
SMILESCc1ccc(-n2nnnc2/C=C/N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN6/c1-16-2-6-19(7-3-16)27-20(22-23-24-27)10-11-25-12-14-26(15-13-25)18-8-4-17(21)5-9-18/h2-11H,12-15H2,1H3/b11-10+
InChIKeyQDZAJVVHKUPTPU-ZHACJKMWSA-N
MW364.43 g/mol
LogP2.90
Rot. Bonds4

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

1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine (PubChem CID 6267908) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine
PubChem CID6267908
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine
SMILESCc1ccc(-n2nnnc2/C=C/N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN6/c1-16-2-6-19(7-3-16)27-20(22-23-24-27)10-11-25-12-14-26(15-13-25)18-8-4-17(21)5-9-18/h2-11H,12-15H2,1H3/b11-10+
InChIKeyQDZAJVVHKUPTPU-ZHACJKMWSA-N
XLogP2.90
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.90
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-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine (CID 6267908) is 1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine is Cc1ccc(-n2nnnc2/C=C/N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine?
The InChIKey is QDZAJVVHKUPTPU-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H21FN6/c1-16-2-6-19(7-3-16)27-20(22-23-24-27)10-11-25-12-14-26(15-13-25)18-8-4-17(21)5-9-18/h2-11H,12-15H2,1H3/b11-10+.
What are the key properties of 1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine?
1-(4-fluorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine has a molecular weight of 364.43 g/mol, XLogP of 2.90, 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-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazine is sourced from PubChem (CID 6267908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).