1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C13H15FN6O — CID 2169363

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H15FN6O/c14-11-1-3-12(4-2-11)18-5-7-19(8-6-18)13(21)9-20-10-15-16-17-20/h1-4,10H,5-9H2
InChIKeyHWHMOKIOBXAXRP-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.16
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 2169363) has the molecular formula C13H15FN6O and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID2169363
Molecular FormulaC13H15FN6O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H15FN6O/c14-11-1-3-12(4-2-11)18-5-7-19(8-6-18)13(21)9-20-10-15-16-17-20/h1-4,10H,5-9H2
InChIKeyHWHMOKIOBXAXRP-UHFFFAOYSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 2169363) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is HWHMOKIOBXAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O/c14-11-1-3-12(4-2-11)18-5-7-19(8-6-18)13(21)9-20-10-15-16-17-20/h1-4,10H,5-9H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 290.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 2169363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).