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

C24H31N5O3 — CID 122180621

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol
SMILESCOc1ccccc1-c1cn(CCC(O)CN2CCN(c3ccccc3OC)CC2)nn1
InChIInChI=1S/C24H31N5O3/c1-31-23-9-5-3-7-20(23)21-18-29(26-25-21)12-11-19(30)17-27-13-15-28(16-14-27)22-8-4-6-10-24(22)32-2/h3-10,18-19,30H,11-17H2,1-2H3
InChIKeyLEVQMJILJZDTPU-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.54
Rot. Bonds9

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

1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol (PubChem CID 122180621) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol
PubChem CID122180621
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol
SMILESCOc1ccccc1-c1cn(CCC(O)CN2CCN(c3ccccc3OC)CC2)nn1
InChIInChI=1S/C24H31N5O3/c1-31-23-9-5-3-7-20(23)21-18-29(26-25-21)12-11-19(30)17-27-13-15-28(16-14-27)22-8-4-6-10-24(22)32-2/h3-10,18-19,30H,11-17H2,1-2H3
InChIKeyLEVQMJILJZDTPU-UHFFFAOYSA-N
XLogP2.54
TPSA75.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol with MolForge

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Related Compounds

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(3R)-3-[4-(2-methoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
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4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
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(2R,4R,5R)-1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-(4-methoxyphenyl)piperidin-4-ol
CID 46902627
(2R,4S,5S)-1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-(4-methoxyphenyl)piperidin-4-ol
CID 46902732
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
1-[4-[4-(4-Bromophenyl)triazol-1-yl]butyl]-4-(2-methoxyphenyl)piperazine
CID 72191064
1-(2-Methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]butyl]piperazine
CID 72191065
4-[1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol (CID 122180621) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol is COc1ccccc1-c1cn(CCC(O)CN2CCN(c3ccccc3OC)CC2)nn1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol?
The InChIKey is LEVQMJILJZDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-31-23-9-5-3-7-20(23)21-18-29(26-25-21)12-11-19(30)17-27-13-15-28(16-14-27)22-8-4-6-10-24(22)32-2/h3-10,18-19,30H,11-17H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol has a molecular weight of 437.54 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol is sourced from PubChem (CID 122180621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).