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

C24H31N5O2 — CID 118719804

IUPAC1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3OC)nn2)CC1
InChIInChI=1S/C24H31N5O2/c1-30-23-12-5-3-10-21(23)28-17-15-27(16-18-28)14-8-7-9-20-19-29(26-25-20)22-11-4-6-13-24(22)31-2/h3-6,10-13,19H,7-9,14-18H2,1-2H3
InChIKeyUCFHTPVUEFOLHG-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.43
Rot. Bonds9

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

1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine (PubChem CID 118719804) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine
PubChem CID118719804
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3OC)nn2)CC1
InChIInChI=1S/C24H31N5O2/c1-30-23-12-5-3-10-21(23)28-17-15-27(16-18-28)14-8-7-9-20-19-29(26-25-20)22-11-4-6-13-24(22)31-2/h3-6,10-13,19H,7-9,14-18H2,1-2H3
InChIKeyUCFHTPVUEFOLHG-UHFFFAOYSA-N
XLogP3.43
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 17449900
4-(3-(Benzotriazol-1-yl)propyl)-1-(2-methoxyphenyl)piperazine
CID 133001
1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperazine
CID 10450375
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
tert-butyl 4-[1-(2-methoxyphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44588427
1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727548
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-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine (CID 118719804) is 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine is COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3OC)nn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine?
The InChIKey is UCFHTPVUEFOLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-30-23-12-5-3-10-21(23)28-17-15-27(16-18-28)14-8-7-9-20-19-29(26-25-20)22-11-4-6-13-24(22)31-2/h3-6,10-13,19H,7-9,14-18H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine?
1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine has a molecular weight of 421.55 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine is sourced from PubChem (CID 118719804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).