2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide

C15H25IN4O3 — CID 111032217

IUPAC2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CC(O)CN2CCOCC2)c1.I
InChIInChI=1S/C15H24N4O3.HI/c1-21-14-4-2-3-12(9-14)18-15(16)17-10-13(20)11-19-5-7-22-8-6-19;/h2-4,9,13,20H,5-8,10-11H2,1H3,(H3,16,17,18);1H
InChIKeyUBWKAHJYGDHXKZ-UHFFFAOYSA-N
MW436.29 g/mol
LogP0.73
Rot. Bonds6

About 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide

2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111032217) has the molecular formula C15H25IN4O3 and a molecular weight of 436.29 g/mol. Its IUPAC name is 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
PubChem CID111032217
Molecular FormulaC15H25IN4O3
Molecular Weight436.29 g/mol
Exact Mass436.10
IUPAC Name2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CC(O)CN2CCOCC2)c1.I
InChIInChI=1S/C15H24N4O3.HI/c1-21-14-4-2-3-12(9-14)18-15(16)17-10-13(20)11-19-5-7-22-8-6-19;/h2-4,9,13,20H,5-8,10-11H2,1H3,(H3,16,17,18);1H
InChIKeyUBWKAHJYGDHXKZ-UHFFFAOYSA-N
XLogP0.73
TPSA92.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;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

1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111023497
1-(3-methoxyphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111063059
1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111037549
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111098614
2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
CID 111439306
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-(3-methoxyphenyl)-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111085938
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111803089
2-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-(3-methoxyphenyl)guanidine
CID 111082657
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111032233
1-(3-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086732

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide (CID 111032217) is 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide is COc1cccc(N/C(N)=N/CC(O)CN2CCOCC2)c1.I.
What is the InChIKey of 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is UBWKAHJYGDHXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.HI/c1-21-14-4-2-3-12(9-14)18-15(16)17-10-13(20)11-19-5-7-22-8-6-19;/h2-4,9,13,20H,5-8,10-11H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide?
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 436.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111032217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).