1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol

C29H33N5O2 — CID 122180619

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C29H33N5O2/c1-36-29-10-6-5-9-28(29)33-19-17-32(18-20-33)21-26(35)15-16-34-22-27(30-31-34)25-13-11-24(12-14-25)23-7-3-2-4-8-23/h2-14,22,26,35H,15-21H2,1H3
InChIKeyNEGKSWMIZLWJGG-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.19
Rot. Bonds9

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol

1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol (PubChem CID 122180619) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol
PubChem CID122180619
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C29H33N5O2/c1-36-29-10-6-5-9-28(29)33-19-17-32(18-20-33)21-26(35)15-16-34-22-27(30-31-34)25-13-11-24(12-14-25)23-7-3-2-4-8-23/h2-14,22,26,35H,15-21H2,1H3
InChIKeyNEGKSWMIZLWJGG-UHFFFAOYSA-N
XLogP4.19
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol (CID 122180619) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol is COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol?
The InChIKey is NEGKSWMIZLWJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-36-29-10-6-5-9-28(29)33-19-17-32(18-20-33)21-26(35)15-16-34-22-27(30-31-34)25-13-11-24(12-14-25)23-7-3-2-4-8-23/h2-14,22,26,35H,15-21H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol has a molecular weight of 483.62 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol is sourced from PubChem (CID 122180619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).