1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine

C29H33N5O — CID 122180612

IUPAC1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C29H33N5O/c1-35-29-12-6-5-11-28(29)33-21-19-32(20-22-33)17-7-8-18-34-23-27(30-31-34)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-6,9-16,23H,7-8,17-22H2,1H3
InChIKeyATOMZLGTVBAGNB-UHFFFAOYSA-N
MW467.62 g/mol
LogP5.22
Rot. Bonds9

About 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine

1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine (PubChem CID 122180612) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine
PubChem CID122180612
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC Name1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C29H33N5O/c1-35-29-12-6-5-11-28(29)33-21-19-32(20-22-33)17-7-8-18-34-23-27(30-31-34)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-6,9-16,23H,7-8,17-22H2,1H3
InChIKeyATOMZLGTVBAGNB-UHFFFAOYSA-N
XLogP5.22
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-(4'-Methoxy(1,1'-biphenyl)-4-yl)-1H-1,2,3-triazol-1-yl)(2-phenyl-1-piperidinyl)-methanone
CID 53364533
Methanone, [4-(2'-Methoxy[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl][2-(phenylMethyl)-1-piperidinyl]-
CID 53364485
3-[1-[[4-(6-Methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]aniline
CID 155515100
2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
3-(1-(4-(2-([1,1'-biphenyl]-2-yloxy)ethyl)benzyl)-1H-1,2,3-triazol-4-yl)pyridine
CID 86305277
3-[1-[2-[4-[(2-Phenylphenoxy)methyl]phenyl]ethyl]triazol-4-yl]pyridine
CID 86305278
3-[1-[4-[3-(2-Phenylphenoxy)propyl]phenyl]triazol-4-yl]pyridine
CID 86305328
3-[1-[8-(2-Phenylphenoxy)octyl]triazol-4-yl]pyridine
CID 86305868
3-[1-[7-(2-Phenylphenoxy)heptyl]triazol-4-yl]pyridine
CID 86305869
3-[1-[6-(2-Phenylphenoxy)hexyl]triazol-4-yl]pyridine
CID 86305870
1-(1,5-Diphenyl-1H-pyrrol-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine
CID 14198554

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine (CID 122180612) is 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine is COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine?
The InChIKey is ATOMZLGTVBAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-35-29-12-6-5-11-28(29)33-21-19-32(20-22-33)17-7-8-18-34-23-27(30-31-34)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-6,9-16,23H,7-8,17-22H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine?
1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine has a molecular weight of 467.62 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine is sourced from PubChem (CID 122180612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).