4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol

C20H23N5O — CID 155522904

IUPAC4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol
SMILESOc1ccc(CCn2cc(-c3ccc(N4CCNCC4)cc3)nn2)cc1
InChIInChI=1S/C20H23N5O/c26-19-7-1-16(2-8-19)9-12-25-15-20(22-23-25)17-3-5-18(6-4-17)24-13-10-21-11-14-24/h1-8,15,21,26H,9-14H2
InChIKeyDQTDIZNPVNOBEY-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.30
Rot. Bonds5

About 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol

4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol (PubChem CID 155522904) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol
PubChem CID155522904
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol
SMILESOc1ccc(CCn2cc(-c3ccc(N4CCNCC4)cc3)nn2)cc1
InChIInChI=1S/C20H23N5O/c26-19-7-1-16(2-8-19)9-12-25-15-20(22-23-25)17-3-5-18(6-4-17)24-13-10-21-11-14-24/h1-8,15,21,26H,9-14H2
InChIKeyDQTDIZNPVNOBEY-UHFFFAOYSA-N
XLogP2.30
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Benzyltriazol-1-yl)phenol
CID 52947733
3-(4-Hydroxyphenyl-1,2,3-triazol-1-yl)quinuclidine
CID 122553341
2-[(4-Benzyltriazol-1-yl)methyl]phenol
CID 11437030
3-[4-(4-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]phenol
CID 44585931
N'-hydroxy-N-[3-[1-[(4-hydroxyphenyl)methyl]triazol-4-yl]phenyl]octanediamide
CID 46881144
4-[1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]aniline
CID 72191066
2-[[(6-Phenyl-3-pyridinyl)amino]methyl]phenol
CID 122182763
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-hydroxybenzenecarboximidamide;dihydrochloride
CID 135927282
4-(4,5-dihydro-1H-imidazol-2-yl)-2-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]triazol-4-yl]phenol;dihydrochloride
CID 135927286
4-hydroxy-N'-propan-2-yl-3-[1-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]triazol-4-yl]benzenecarboximidamide;hydrochloride
CID 136180755
4-[1-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenol
CID 155522758
4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenol
CID 155547626

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol (CID 155522904) is 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol is Oc1ccc(CCn2cc(-c3ccc(N4CCNCC4)cc3)nn2)cc1.
What is the InChIKey of 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol?
The InChIKey is DQTDIZNPVNOBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-19-7-1-16(2-8-19)9-12-25-15-20(22-23-25)17-3-5-18(6-4-17)24-13-10-21-11-14-24/h1-8,15,21,26H,9-14H2.
What are the key properties of 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol?
4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol has a molecular weight of 349.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-piperazin-1-ylphenyl)triazol-1-yl]ethyl]phenol is sourced from PubChem (CID 155522904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).