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

C19H23F2IN4 — CID 111025570

IUPAC4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22F2N4.HI/c20-16-3-1-15(2-4-16)9-10-23-19(22)25-13-11-24(12-14-25)18-7-5-17(21)6-8-18;/h1-8H,9-14H2,(H2,22,23);1H
InChIKeyZCAXSKSSBKNWLY-UHFFFAOYSA-N
MW472.32 g/mol
LogP3.26
Rot. Bonds4

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

4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111025570) has the molecular formula C19H23F2IN4 and a molecular weight of 472.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111025570
Molecular FormulaC19H23F2IN4
Molecular Weight472.32 g/mol
Exact Mass472.09
IUPAC Name4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22F2N4.HI/c20-16-3-1-15(2-4-16)9-10-23-19(22)25-13-11-24(12-14-25)18-7-5-17(21)6-8-18;/h1-8H,9-14H2,(H2,22,23);1H
InChIKeyZCAXSKSSBKNWLY-UHFFFAOYSA-N
XLogP3.26
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.32
LogP ≤ 53.26
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-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
N'-[2-[4-(dimethylamino)phenyl]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111089178
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
4-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide
CID 111042071
4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
CID 111813721
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide
CID 111821232
4-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111030255
N'-[[4-(dimethylamino)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111033194
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide
CID 122098433
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 111025570) is 4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CCc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZCAXSKSSBKNWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4.HI/c20-16-3-1-15(2-4-16)9-10-23-19(22)25-13-11-24(12-14-25)18-7-5-17(21)6-8-18;/h1-8H,9-14H2,(H2,22,23);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 472.32 g/mol, XLogP of 3.26, 4 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-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111025570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).