1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

C23H28FN5O2 — CID 72545238

IUPAC1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1
InChIInChI=1S/C23H28FN5O2/c1-30-23-6-3-2-5-22(23)28-14-12-27(13-15-28)17-19-18-29(26-25-19)20-7-9-21(10-8-20)31-16-4-11-24/h2-3,5-10,18H,4,11-17H2,1H3
InChIKeyXUOARYPFOGJNNV-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.34
Rot. Bonds9

About 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 72545238) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID72545238
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1
InChIInChI=1S/C23H28FN5O2/c1-30-23-6-3-2-5-22(23)28-14-12-27(13-15-28)17-19-18-29(26-25-19)20-7-9-21(10-8-20)31-16-4-11-24/h2-3,5-10,18H,4,11-17H2,1H3
InChIKeyXUOARYPFOGJNNV-UHFFFAOYSA-N
XLogP3.34
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[[1-[4-(3-fluoropropoxy)phenyl]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-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 72545238) is 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1.
What is the InChIKey of 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is XUOARYPFOGJNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-30-23-6-3-2-5-22(23)28-14-12-27(13-15-28)17-19-18-29(26-25-19)20-7-9-21(10-8-20)31-16-4-11-24/h2-3,5-10,18H,4,11-17H2,1H3.
What are the key properties of 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 425.51 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 72545238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).