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

C15H20FN5 — CID 127265450

IUPAC1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCc1nc(CN2CCN(Cc3cccc(F)c3)CC2)n[nH]1
InChIInChI=1S/C15H20FN5/c1-12-17-15(19-18-12)11-21-7-5-20(6-8-21)10-13-3-2-4-14(16)9-13/h2-4,9H,5-8,10-11H2,1H3,(H,17,18,19)
InChIKeyUMDLNIWWNXGPNN-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.57
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine (PubChem CID 127265450) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
PubChem CID127265450
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCc1nc(CN2CCN(Cc3cccc(F)c3)CC2)n[nH]1
InChIInChI=1S/C15H20FN5/c1-12-17-15(19-18-12)11-21-7-5-20(6-8-21)10-13-3-2-4-14(16)9-13/h2-4,9H,5-8,10-11H2,1H3,(H,17,18,19)
InChIKeyUMDLNIWWNXGPNN-UHFFFAOYSA-N
XLogP1.57
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 90507425
7-fluoro-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoline
CID 133452406
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 56895511
4-[[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 56906436
1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133452314
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56900861

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine (CID 127265450) is 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine is Cc1nc(CN2CCN(Cc3cccc(F)c3)CC2)n[nH]1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine?
The InChIKey is UMDLNIWWNXGPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-12-17-15(19-18-12)11-21-7-5-20(6-8-21)10-13-3-2-4-14(16)9-13/h2-4,9H,5-8,10-11H2,1H3,(H,17,18,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine?
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine has a molecular weight of 289.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine is sourced from PubChem (CID 127265450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).