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

C22H26FN5O2 — CID 72545011

IUPAC1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1
InChIInChI=1S/C22H26FN5O2/c1-29-22-5-3-2-4-21(22)27-13-11-26(12-14-27)16-18-17-28(25-24-18)19-6-8-20(9-7-19)30-15-10-23/h2-9,17H,10-16H2,1H3
InChIKeyLHYAIPJNIYZFAE-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.95
Rot. Bonds8

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

1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 72545011) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID72545011
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1
InChIInChI=1S/C22H26FN5O2/c1-29-22-5-3-2-4-21(22)27-13-11-26(12-14-27)16-18-17-28(25-24-18)19-6-8-20(9-7-19)30-15-10-23/h2-9,17H,10-16H2,1H3
InChIKeyLHYAIPJNIYZFAE-UHFFFAOYSA-N
XLogP2.95
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 72545011) is 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1.
What is the InChIKey of 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is LHYAIPJNIYZFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-29-22-5-3-2-4-21(22)27-13-11-26(12-14-27)16-18-17-28(25-24-18)19-6-8-20(9-7-19)30-15-10-23/h2-9,17H,10-16H2,1H3.
What are the key properties of 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 411.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 72545011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).