1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

C18H26FN5O2 — CID 72544789

IUPAC1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1
InChIInChI=1S/C18H26FN5O2/c1-25-18-5-3-2-4-17(18)23-9-7-22(8-10-23)14-16-15-24(21-20-16)11-13-26-12-6-19/h2-5,15H,6-14H2,1H3
InChIKeyFLNGBOIVGQBOBU-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.60
Rot. Bonds9

About 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 72544789) has the molecular formula C18H26FN5O2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID72544789
Molecular FormulaC18H26FN5O2
Molecular Weight363.44 g/mol
Exact Mass363.21
IUPAC Name1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1
InChIInChI=1S/C18H26FN5O2/c1-25-18-5-3-2-4-17(18)23-9-7-22(8-10-23)14-16-15-24(21-20-16)11-13-26-12-6-19/h2-5,15H,6-14H2,1H3
InChIKeyFLNGBOIVGQBOBU-UHFFFAOYSA-N
XLogP1.60
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 72544789) is 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1.
What is the InChIKey of 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is FLNGBOIVGQBOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O2/c1-25-18-5-3-2-4-17(18)23-9-7-22(8-10-23)14-16-15-24(21-20-16)11-13-26-12-6-19/h2-5,15H,6-14H2,1H3.
What are the key properties of 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 363.44 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 72544789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).