1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine

C20H22FN5O — CID 56704508

IUPAC1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCOc1ccc(-n2cnnc2CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN5O/c1-27-19-8-6-18(7-9-19)26-15-22-23-20(26)14-24-10-12-25(13-11-24)17-4-2-16(21)3-5-17/h2-9,15H,10-14H2,1H3
InChIKeyYCOJFLWLPLNDOR-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.74
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine

1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine (PubChem CID 56704508) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
PubChem CID56704508
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCOc1ccc(-n2cnnc2CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN5O/c1-27-19-8-6-18(7-9-19)26-15-22-23-20(26)14-24-10-12-25(13-11-24)17-4-2-16(21)3-5-17/h2-9,15H,10-14H2,1H3
InChIKeyYCOJFLWLPLNDOR-UHFFFAOYSA-N
XLogP2.74
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine (CID 56704508) is 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine is COc1ccc(-n2cnnc2CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The InChIKey is YCOJFLWLPLNDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-27-19-8-6-18(7-9-19)26-15-22-23-20(26)14-24-10-12-25(13-11-24)17-4-2-16(21)3-5-17/h2-9,15H,10-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine has a molecular weight of 367.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine is sourced from PubChem (CID 56704508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).