4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide

C21H28FIN4O — CID 111099363

IUPAC4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESCOc1cccc(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1.I
InChIInChI=1S/C21H27FN4O.HI/c1-27-20-6-2-4-17(16-20)5-3-11-24-21(23)26-14-12-25(13-15-26)19-9-7-18(22)8-10-19;/h2,4,6-10,16H,3,5,11-15H2,1H3,(H2,23,24);1H
InChIKeyCBOGWDFWUSQNQE-UHFFFAOYSA-N
MW498.38 g/mol
LogP3.52
Rot. Bonds6

About 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111099363) has the molecular formula C21H28FIN4O and a molecular weight of 498.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111099363
Molecular FormulaC21H28FIN4O
Molecular Weight498.38 g/mol
Exact Mass498.13
IUPAC Name4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESCOc1cccc(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1.I
InChIInChI=1S/C21H27FN4O.HI/c1-27-20-6-2-4-17(16-20)5-3-11-24-21(23)26-14-12-25(13-15-26)19-9-7-18(22)8-10-19;/h2,4,6-10,16H,3,5,11-15H2,1H3,(H2,23,24);1H
InChIKeyCBOGWDFWUSQNQE-UHFFFAOYSA-N
XLogP3.52
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111026410
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N'-[[3-(difluoromethoxy)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111093341
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
methyl 5-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111086172
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
4-(4-fluorophenyl)-N'-(6-methylsulfanylhexyl)piperazine-1-carboximidamide;hydroiodide
CID 110032064
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948640
4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111035685
N'-[2-[4-(dimethylamino)phenyl]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111089178

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide (CID 111099363) is 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide is COc1cccc(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is CBOGWDFWUSQNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O.HI/c1-27-20-6-2-4-17(16-20)5-3-11-24-21(23)26-14-12-25(13-15-26)19-9-7-18(22)8-10-19;/h2,4,6-10,16H,3,5,11-15H2,1H3,(H2,23,24);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 498.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111099363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).