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

C19H19FN6O2 — CID 2540565

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN6O2/c20-15-1-3-16(4-2-15)24-9-11-25(12-10-24)19(27)13-28-18-7-5-17(6-8-18)26-14-21-22-23-26/h1-8,14H,9-13H2
InChIKeyFMYMSRICYKDBAK-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.53
Rot. Bonds5

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone (PubChem CID 2540565) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
PubChem CID2540565
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN6O2/c20-15-1-3-16(4-2-15)24-9-11-25(12-10-24)19(27)13-28-18-7-5-17(6-8-18)26-14-21-22-23-26/h1-8,14H,9-13H2
InChIKeyFMYMSRICYKDBAK-UHFFFAOYSA-N
XLogP1.53
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone (CID 2540565) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone is O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone?
The InChIKey is FMYMSRICYKDBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-15-1-3-16(4-2-15)24-9-11-25(12-10-24)19(27)13-28-18-7-5-17(6-8-18)26-14-21-22-23-26/h1-8,14H,9-13H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone has a molecular weight of 382.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 2540565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).