2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine

C14H18FN5 — CID 120756895

IUPAC2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESFc1cccc(C2CNCCN2CCn2cncn2)c1
InChIInChI=1S/C14H18FN5/c15-13-3-1-2-12(8-13)14-9-16-4-5-19(14)6-7-20-11-17-10-18-20/h1-3,8,10-11,14,16H,4-7,9H2
InChIKeyWNOLGYSALUACLH-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.06
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine

2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (PubChem CID 120756895) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
PubChem CID120756895
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESFc1cccc(C2CNCCN2CCn2cncn2)c1
InChIInChI=1S/C14H18FN5/c15-13-3-1-2-12(8-13)14-9-16-4-5-19(14)6-7-20-11-17-10-18-20/h1-3,8,10-11,14,16H,4-7,9H2
InChIKeyWNOLGYSALUACLH-UHFFFAOYSA-N
XLogP1.06
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine
CID 138041241
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120756565
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (CID 120756895) is 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is Fc1cccc(C2CNCCN2CCn2cncn2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The InChIKey is WNOLGYSALUACLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c15-13-3-1-2-12(8-13)14-9-16-4-5-19(14)6-7-20-11-17-10-18-20/h1-3,8,10-11,14,16H,4-7,9H2.
What are the key properties of 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine has a molecular weight of 275.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 120756895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).