4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide

C22H28ClFIN5O — CID 111068344

IUPAC4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(N2CCOCC2)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClFN5O.HI/c23-18-2-4-19(5-3-18)27-7-9-29(10-8-27)22(25)26-16-17-1-6-21(20(24)15-17)28-11-13-30-14-12-28;/h1-6,15H,7-14,16H2,(H2,25,26);1H
InChIKeyOUSUGIBIGBNVBN-UHFFFAOYSA-N
MW559.86 g/mol
LogP3.57
Rot. Bonds4

About 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111068344) has the molecular formula C22H28ClFIN5O and a molecular weight of 559.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111068344
Molecular FormulaC22H28ClFIN5O
Molecular Weight559.86 g/mol
Exact Mass559.10
IUPAC Name4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(N2CCOCC2)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClFN5O.HI/c23-18-2-4-19(5-3-18)27-7-9-29(10-8-27)22(25)26-16-17-1-6-21(20(24)15-17)28-11-13-30-14-12-28;/h1-6,15H,7-14,16H2,(H2,25,26);1H
InChIKeyOUSUGIBIGBNVBN-UHFFFAOYSA-N
XLogP3.57
TPSA57.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.86
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]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

N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111068354
N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111068443
4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
CID 119118862
N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111068448
4-(4-fluorophenyl)-N'-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119117915
N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111063137
4-(4-chlorophenyl)-N'-[[3-(oxan-4-yloxymethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111808590
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111068358
2-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111068321
4-(4-chlorophenyl)-N'-[(3-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111064965
4-(4-chlorophenyl)-N'-[[4-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111046455
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111086665

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 111068344) is 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(N2CCOCC2)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is OUSUGIBIGBNVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN5O.HI/c23-18-2-4-19(5-3-18)27-7-9-29(10-8-27)22(25)26-16-17-1-6-21(20(24)15-17)28-11-13-30-14-12-28;/h1-6,15H,7-14,16H2,(H2,25,26);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 559.86 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111068344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).