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

C22H34FN5O4 — CID 72545008

IUPAC1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1
InChIInChI=1S/C22H34FN5O4/c1-29-22-5-3-2-4-21(22)27-9-7-26(8-10-27)18-20-19-28(25-24-20)11-13-31-15-17-32-16-14-30-12-6-23/h2-5,19H,6-18H2,1H3
InChIKeyWTAVHOMZPZTGNJ-UHFFFAOYSA-N
MW451.54 g/mol
LogP1.63
Rot. Bonds15

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

1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 72545008) has the molecular formula C22H34FN5O4 and a molecular weight of 451.54 g/mol. Its IUPAC name is 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID72545008
Molecular FormulaC22H34FN5O4
Molecular Weight451.54 g/mol
Exact Mass451.26
IUPAC Name1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1
InChIInChI=1S/C22H34FN5O4/c1-29-22-5-3-2-4-21(22)27-9-7-26(8-10-27)18-20-19-28(25-24-20)11-13-31-15-17-32-16-14-30-12-6-23/h2-5,19H,6-18H2,1H3
InChIKeyWTAVHOMZPZTGNJ-UHFFFAOYSA-N
XLogP1.63
TPSA74.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 72545008) is 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1.
What is the InChIKey of 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is WTAVHOMZPZTGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN5O4/c1-29-22-5-3-2-4-21(22)27-9-7-26(8-10-27)18-20-19-28(25-24-20)11-13-31-15-17-32-16-14-30-12-6-23/h2-5,19H,6-18H2,1H3.
What are the key properties of 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 451.54 g/mol, XLogP of 1.63, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 72545008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).