1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine

C17H17FN6 — CID 1448756

IUPAC1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESFc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C17H17FN6/c18-14-6-8-15(9-7-14)22-10-12-23(13-11-22)17-19-20-21-24(17)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyJRUNQXOQLKLECP-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 1448756) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID1448756
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESFc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C17H17FN6/c18-14-6-8-15(9-7-14)22-10-12-23(13-11-22)17-19-20-21-24(17)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyJRUNQXOQLKLECP-UHFFFAOYSA-N
XLogP2.13
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.13
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-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 1448756) is 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine is Fc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is JRUNQXOQLKLECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6/c18-14-6-8-15(9-7-14)22-10-12-23(13-11-22)17-19-20-21-24(17)16-4-2-1-3-5-16/h1-9H,10-13H2.
What are the key properties of 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 324.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 1448756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).