1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile

C13H16FN3O — CID 79085130

IUPAC1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CCOc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c14-11-1-3-13(4-2-11)18-8-7-17-6-5-16-10-12(17)9-15/h1-4,12,16H,5-8,10H2
InChIKeyVIZGRVWXCZPKDL-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.00
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile

1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile (PubChem CID 79085130) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile
PubChem CID79085130
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CCOc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c14-11-1-3-13(4-2-11)18-8-7-17-6-5-16-10-12(17)9-15/h1-4,12,16H,5-8,10H2
InChIKeyVIZGRVWXCZPKDL-UHFFFAOYSA-N
XLogP1.00
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-tert-butylphenoxy)ethyl]piperazine-2-carbonitrile
CID 79094837
1-(3-phenoxypropyl)piperazine-2-carbonitrile
CID 79085976
1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile
CID 79085566
1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile
CID 79086405
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
CID 50999666
1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
CID 79084934
1-(2-cyclopropylethyl)piperazine-2-carbonitrile
CID 79085569
(2R)-2-methyl-1-[2-(4-nitrophenoxy)ethyl]piperazine
CID 95656887
1-[2-(4-fluorophenoxy)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681408
1-[(4-chlorophenyl)methyl]piperazine-2-carbonitrile
CID 79085643
1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
CID 79086103
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile
CID 103005283

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile (CID 79085130) is 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile is N#CC1CNCCN1CCOc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile?
The InChIKey is VIZGRVWXCZPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-11-1-3-13(4-2-11)18-8-7-17-6-5-16-10-12(17)9-15/h1-4,12,16H,5-8,10H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile?
1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile has a molecular weight of 249.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).