4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide

C16H24FIN4 — CID 120973992

IUPAC4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC1CCC1/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C16H23FN4.HI/c1-12-2-7-15(12)19-16(18)21-10-8-20(9-11-21)14-5-3-13(17)4-6-14;/h3-6,12,15H,2,7-11H2,1H3,(H2,18,19);1H
InChIKeyZSOIIYSBCOCWJZ-UHFFFAOYSA-N
MW418.30 g/mol
LogP2.68
Rot. Bonds2

About 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 120973992) has the molecular formula C16H24FIN4 and a molecular weight of 418.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID120973992
Molecular FormulaC16H24FIN4
Molecular Weight418.30 g/mol
Exact Mass418.10
IUPAC Name4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC1CCC1/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C16H23FN4.HI/c1-12-2-7-15(12)19-16(18)21-10-8-20(9-11-21)14-5-3-13(17)4-6-14;/h3-6,12,15H,2,7-11H2,1H3,(H2,18,19);1H
InChIKeyZSOIIYSBCOCWJZ-UHFFFAOYSA-N
XLogP2.68
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 111101089
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119148272
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
4-(4-fluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]piperazine-1-carboximidamide
CID 111802822
4-(4-fluorophenyl)-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111077564
N'-(2-bromoprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119120602
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
tert-butyl 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]acetate;hydroiodide
CID 111801469
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111099199
4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide
CID 119148519
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide (CID 120973992) is 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide is CC1CCC1/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZSOIIYSBCOCWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4.HI/c1-12-2-7-15(12)19-16(18)21-10-8-20(9-11-21)14-5-3-13(17)4-6-14;/h3-6,12,15H,2,7-11H2,1H3,(H2,18,19);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 418.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 120973992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).