1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide

C17H24FIN6O — CID 75512867

IUPAC1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1noc(C)n1)NC1CCN(c2cccc(F)c2)CC1.I
InChIInChI=1S/C17H23FN6O.HI/c1-12-21-16(23-25-12)11-20-17(19-2)22-14-6-8-24(9-7-14)15-5-3-4-13(18)10-15;/h3-5,10,14H,6-9,11H2,1-2H3,(H2,19,20,22);1H
InChIKeyFRQFUECGQWASGS-UHFFFAOYSA-N
MW474.32 g/mol
LogP2.47
Rot. Bonds4

About 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide

1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide (PubChem CID 75512867) has the molecular formula C17H24FIN6O and a molecular weight of 474.32 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
PubChem CID75512867
Molecular FormulaC17H24FIN6O
Molecular Weight474.32 g/mol
Exact Mass474.10
IUPAC Name1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1noc(C)n1)NC1CCN(c2cccc(F)c2)CC1.I
InChIInChI=1S/C17H23FN6O.HI/c1-12-21-16(23-25-12)11-20-17(19-2)22-14-6-8-24(9-7-14)15-5-3-4-13(18)10-15;/h3-5,10,14H,6-9,11H2,1-2H3,(H2,19,20,22);1H
InChIKeyFRQFUECGQWASGS-UHFFFAOYSA-N
XLogP2.47
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 109405412
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine;hydroiodide
CID 75512865
1-ethyl-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111992616
1-[2-(diethylsulfamoyl)ethyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine
CID 111992571
1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111992629
1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 119150327
1-ethyl-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111992578
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 109387501
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-ethyl-3-[1-(3-fluorophenyl)piperidin-4-yl]guanidine
CID 109394964
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602426
1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 110992731
N-(3-fluorophenyl)-2-[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111909338

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide (CID 75512867) is 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide is C/N=C(\NCc1noc(C)n1)NC1CCN(c2cccc(F)c2)CC1.I.
What is the InChIKey of 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is FRQFUECGQWASGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O.HI/c1-12-21-16(23-25-12)11-20-17(19-2)22-14-6-8-24(9-7-14)15-5-3-4-13(18)10-15;/h3-5,10,14H,6-9,11H2,1-2H3,(H2,19,20,22);1H.
What are the key properties of 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide?
1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 474.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)piperidin-4-yl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 75512867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).