1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine

C21H24FN5 — CID 15575683

IUPAC1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCc1nnc(CCN2CCN(c3ccc(F)cc3)CC2)n1-c1ccccc1
InChIInChI=1S/C21H24FN5/c1-17-23-24-21(27(17)20-5-3-2-4-6-20)11-12-25-13-15-26(16-14-25)19-9-7-18(22)8-10-19/h2-10H,11-16H2,1H3
InChIKeyZCUMCQDIVYRJIV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine

1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine (PubChem CID 15575683) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
PubChem CID15575683
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCc1nnc(CCN2CCN(c3ccc(F)cc3)CC2)n1-c1ccccc1
InChIInChI=1S/C21H24FN5/c1-17-23-24-21(27(17)20-5-3-2-4-6-20)11-12-25-13-15-26(16-14-25)19-9-7-18(22)8-10-19/h2-10H,11-16H2,1H3
InChIKeyZCUMCQDIVYRJIV-UHFFFAOYSA-N
XLogP3.08
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
CID 13217691
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
CID 55430242
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 82058182
1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine
CID 156720232
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709660
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
1-[5-[2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-1-yl]propan-1-one
CID 58180828
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
CID 4890091
1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine
CID 15575691

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine (CID 15575683) is 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine is Cc1nnc(CCN2CCN(c3ccc(F)cc3)CC2)n1-c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine?
The InChIKey is ZCUMCQDIVYRJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-17-23-24-21(27(17)20-5-3-2-4-6-20)11-12-25-13-15-26(16-14-25)19-9-7-18(22)8-10-19/h2-10H,11-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine?
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine has a molecular weight of 365.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 15575683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).