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

C22H26FN5O — CID 15575691

IUPAC1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(CCCc3nncn3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FN5O/c1-29-21-10-8-19(9-11-21)27-15-13-26(14-16-27)12-2-3-22-25-24-17-28(22)20-6-4-18(23)5-7-20/h4-11,17H,2-3,12-16H2,1H3
InChIKeyWVPNRHCDZFSJRM-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.17
Rot. Bonds7

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

1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 15575691) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine
PubChem CID15575691
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(CCCc3nncn3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FN5O/c1-29-21-10-8-19(9-11-21)27-15-13-26(14-16-27)12-2-3-22-25-24-17-28(22)20-6-4-18(23)5-7-20/h4-11,17H,2-3,12-16H2,1H3
InChIKeyWVPNRHCDZFSJRM-UHFFFAOYSA-N
XLogP3.17
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-(2,3-dimethylphenyl)-4-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 56712302
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 163212406
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine (CID 15575691) is 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(CCCc3nncn3-c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is WVPNRHCDZFSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-29-21-10-8-19(9-11-21)27-15-13-26(14-16-27)12-2-3-22-25-24-17-28(22)20-6-4-18(23)5-7-20/h4-11,17H,2-3,12-16H2,1H3.
What are the key properties of 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine?
1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 395.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 15575691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).