2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C20H27FIN5O — CID 111028097

IUPAC2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)NCCc1ccccn1
InChIInChI=1S/C20H26FN5O.HI/c21-17-6-4-16(5-7-17)19(26-11-13-27-14-12-26)15-25-20(22)24-10-8-18-3-1-2-9-23-18;/h1-7,9,19H,8,10-15H2,(H3,22,24,25);1H
InChIKeyYMKDTLFKHMNVFP-UHFFFAOYSA-N
MW499.37 g/mol
LogP2.36
Rot. Bonds7

About 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111028097) has the molecular formula C20H27FIN5O and a molecular weight of 499.37 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111028097
Molecular FormulaC20H27FIN5O
Molecular Weight499.37 g/mol
Exact Mass499.12
IUPAC Name2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)NCCc1ccccn1
InChIInChI=1S/C20H26FN5O.HI/c21-17-6-4-16(5-7-17)19(26-11-13-27-14-12-26)15-25-20(22)24-10-8-18-3-1-2-9-23-18;/h1-7,9,19H,8,10-15H2,(H3,22,24,25);1H
InChIKeyYMKDTLFKHMNVFP-UHFFFAOYSA-N
XLogP2.36
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111058070
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120609
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
CID 119120610
2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111054383
2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111101365
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111597591
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111028105
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111085609
2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111069745
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111028097) is 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is I.N/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)NCCc1ccccn1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is YMKDTLFKHMNVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O.HI/c21-17-6-4-16(5-7-17)19(26-11-13-27-14-12-26)15-25-20(22)24-10-8-18-3-1-2-9-23-18;/h1-7,9,19H,8,10-15H2,(H3,22,24,25);1H.
What are the key properties of 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 499.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111028097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).