2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine

C20H23N5O — CID 120753605

IUPAC2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O/c1-26-20-10-6-5-9-18(20)19-14-21-11-12-24(19)15-16-13-22-25(23-16)17-7-3-2-4-8-17/h2-10,13,19,21H,11-12,14-15H2,1H3
InChIKeyHZZOHCQPDJIOBO-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine

2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine (PubChem CID 120753605) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
PubChem CID120753605
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O/c1-26-20-10-6-5-9-18(20)19-14-21-11-12-24(19)15-16-13-22-25(23-16)17-7-3-2-4-8-17/h2-10,13,19,21H,11-12,14-15H2,1H3
InChIKeyHZZOHCQPDJIOBO-UHFFFAOYSA-N
XLogP2.42
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767304
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120767508
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 120767618
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767460
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 120753675

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine (CID 120753605) is 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine is COc1ccccc1C1CNCCN1Cc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine?
The InChIKey is HZZOHCQPDJIOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-26-20-10-6-5-9-18(20)19-14-21-11-12-24(19)15-16-13-22-25(23-16)17-7-3-2-4-8-17/h2-10,13,19,21H,11-12,14-15H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine?
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine has a molecular weight of 349.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 120753605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).