5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole

C19H23N5O — CID 10088453

IUPAC5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole
SMILESCOc1ccccc1N1CCN(CCc2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C19H23N5O/c1-25-19-5-3-2-4-18(19)24-12-10-23(11-13-24)9-8-15-6-7-16-17(14-15)21-22-20-16/h2-7,14H,8-13H2,1H3,(H,20,21,22)
InChIKeyQOTYCLIFPPZNAZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.33
Rot. Bonds5

About 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole

5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole (PubChem CID 10088453) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole
PubChem CID10088453
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole
SMILESCOc1ccccc1N1CCN(CCc2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C19H23N5O/c1-25-19-5-3-2-4-18(19)24-12-10-23(11-13-24)9-8-15-6-7-16-17(14-15)21-22-20-16/h2-7,14H,8-13H2,1H3,(H,20,21,22)
InChIKeyQOTYCLIFPPZNAZ-UHFFFAOYSA-N
XLogP2.33
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-(Benzotriazol-1-yl)propyl)-1-(2-methoxyphenyl)piperazine
CID 133001
2H-Benzotriazole, 2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-
CID 577725
1-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-benzotriazole
CID 10090259
4-(5-Methyl-benzotriazol-1-yl)-piperidine-1-carboxylic acid (2-ethoxy-phenyl)-amide
CID 651324
2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-benzotriazole
CID 10021763
1-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-benzotriazole
CID 10042704
2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-benzotriazole
CID 10472257
1-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-cyclohexyl}-1H-benzotriazole
CID 10668199
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
4-[1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]aniline
CID 72191066
1-[2-(2-Prop-2-enylphenoxy)ethyl]benzotriazole
CID 2986689
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2H-benzotriazole
CID 11233507

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole?
The IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole (CID 10088453) is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole.
What is the SMILES notation for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole?
The canonical SMILES for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole is COc1ccccc1N1CCN(CCc2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole?
The InChIKey is QOTYCLIFPPZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-25-19-5-3-2-4-18(19)24-12-10-23(11-13-24)9-8-15-6-7-16-17(14-15)21-22-20-16/h2-7,14H,8-13H2,1H3,(H,20,21,22).
What are the key properties of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole?
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole has a molecular weight of 337.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole is sourced from PubChem (CID 10088453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).