1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C13H15FN6O — CID 120737844

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C13H15FN6O/c14-11-3-1-2-10(6-11)12-7-15-4-5-20(12)13(21)8-19-9-16-17-18-19/h1-3,6,9,12,15H,4-5,7-8H2
InChIKeyIKYQRYUFRGZCHZ-UHFFFAOYSA-N
MW290.30 g/mol
LogP-0.01
Rot. Bonds3

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 120737844) has the molecular formula C13H15FN6O and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID120737844
Molecular FormulaC13H15FN6O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C13H15FN6O/c14-11-3-1-2-10(6-11)12-7-15-4-5-20(12)13(21)8-19-9-16-17-18-19/h1-3,6,9,12,15H,4-5,7-8H2
InChIKeyIKYQRYUFRGZCHZ-UHFFFAOYSA-N
XLogP-0.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120741509
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
CID 120737642
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735849
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 120737844) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is IKYQRYUFRGZCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O/c14-11-3-1-2-10(6-11)12-7-15-4-5-20(12)13(21)8-19-9-16-17-18-19/h1-3,6,9,12,15H,4-5,7-8H2.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 290.30 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 120737844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).