4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide

C21H28FIN4O — CID 111097686

IUPAC4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESCOc1ccccc1C(C)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C21H27FN4O.HI/c1-16(19-5-3-4-6-20(19)27-2)15-24-21(23)26-13-11-25(12-14-26)18-9-7-17(22)8-10-18;/h3-10,16H,11-15H2,1-2H3,(H2,23,24);1H
InChIKeyFXNBPYZLAFGBAS-UHFFFAOYSA-N
MW498.38 g/mol
LogP3.69
Rot. Bonds5

About 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111097686) has the molecular formula C21H28FIN4O and a molecular weight of 498.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111097686
Molecular FormulaC21H28FIN4O
Molecular Weight498.38 g/mol
Exact Mass498.13
IUPAC Name4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESCOc1ccccc1C(C)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C21H27FN4O.HI/c1-16(19-5-3-4-6-20(19)27-2)15-24-21(23)26-13-11-25(12-14-26)18-9-7-17(22)8-10-18;/h3-10,16H,11-15H2,1-2H3,(H2,23,24);1H
InChIKeyFXNBPYZLAFGBAS-UHFFFAOYSA-N
XLogP3.69
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111816893
N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110928149
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111026410
4-(4-fluorophenyl)-N'-[(3-hydroxy-4-methoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111052092
N'-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111049618
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide
CID 110032524
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
4-(4-fluorophenyl)-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide;hydroiodide
CID 111822733

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide (CID 111097686) is 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide is COc1ccccc1C(C)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is FXNBPYZLAFGBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O.HI/c1-16(19-5-3-4-6-20(19)27-2)15-24-21(23)26-13-11-25(12-14-26)18-9-7-17(22)8-10-18;/h3-10,16H,11-15H2,1-2H3,(H2,23,24);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 498.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111097686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).