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

C25H32FN5O3 — CID 72545240

IUPAC1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1
InChIInChI=1S/C25H32FN5O3/c1-32-25-6-3-2-5-24(25)30-14-12-29(13-15-30)19-21-20-31(28-27-21)22-7-9-23(10-8-22)34-17-4-16-33-18-11-26/h2-3,5-10,20H,4,11-19H2,1H3
InChIKeyGVZVJCKGJVWISH-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.35
Rot. Bonds12

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

1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 72545240) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID72545240
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC Name1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1
InChIInChI=1S/C25H32FN5O3/c1-32-25-6-3-2-5-24(25)30-14-12-29(13-15-30)19-21-20-31(28-27-21)22-7-9-23(10-8-22)34-17-4-16-33-18-11-26/h2-3,5-10,20H,4,11-19H2,1H3
InChIKeyGVZVJCKGJVWISH-UHFFFAOYSA-N
XLogP3.35
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269
N,N-Diethyl-3-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)propan-1-amine
CID 45481891
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
1-[[1-(6-Fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72544566
(2R,3S,4S,5R)-5-fluoro-2-(hydroxymethyl)-6-[3-[4-[4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]triazol-1-yl]phenoxy]propoxy]oxane-3,4-diol
CID 72544787
1-[[1-[2-(2-Fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72544789
1-[[1-[2-[2-(2-Fluoroethoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545007
1-[[1-[2-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545008

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 72545240) is 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1.
What is the InChIKey of 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is GVZVJCKGJVWISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-32-25-6-3-2-5-24(25)30-14-12-29(13-15-30)19-21-20-31(28-27-21)22-7-9-23(10-8-22)34-17-4-16-33-18-11-26/h2-3,5-10,20H,4,11-19H2,1H3.
What are the key properties of 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 469.56 g/mol, XLogP of 3.35, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 72545240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).