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

C16H27IN4O2 — CID 111032233

IUPAC2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(O)CN1CCOCC1)NCCc1ccccc1
InChIInChI=1S/C16H26N4O2.HI/c17-16(18-7-6-14-4-2-1-3-5-14)19-12-15(21)13-20-8-10-22-11-9-20;/h1-5,15,21H,6-13H2,(H3,17,18,19);1H
InChIKeyZXSZHAXLPKWTPB-UHFFFAOYSA-N
MW434.32 g/mol
LogP0.44
Rot. Bonds7

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

2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111032233) has the molecular formula C16H27IN4O2 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111032233
Molecular FormulaC16H27IN4O2
Molecular Weight434.32 g/mol
Exact Mass434.12
IUPAC Name2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(O)CN1CCOCC1)NCCc1ccccc1
InChIInChI=1S/C16H26N4O2.HI/c17-16(18-7-6-14-4-2-1-3-5-14)19-12-15(21)13-20-8-10-22-11-9-20;/h1-5,15,21H,6-13H2,(H3,17,18,19);1H
InChIKeyZXSZHAXLPKWTPB-UHFFFAOYSA-N
XLogP0.44
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
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-(morpholin-4-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033221
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111098630
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111042356
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine
CID 10991060
2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032217
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111074310
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
1-[2-(4-methoxyphenyl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 47086555
N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111054305
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111055279

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide (CID 111032233) is 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide is I.N/C(=N\CC(O)CN1CCOCC1)NCCc1ccccc1.
What is the InChIKey of 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is ZXSZHAXLPKWTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.HI/c17-16(18-7-6-14-4-2-1-3-5-14)19-12-15(21)13-20-8-10-22-11-9-20;/h1-5,15,21H,6-13H2,(H3,17,18,19);1H.
What are the key properties of 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide?
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 434.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111032233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).