2-(4-morpholin-4-ylphenyl)guanidine

C11H16N4O — CID 10176830

IUPAC2-(4-morpholin-4-ylphenyl)guanidine
SMILESNC(N)=Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H16N4O/c12-11(13)14-9-1-3-10(4-2-9)15-5-7-16-8-6-15/h1-4H,5-8H2,(H4,12,13,14)
InChIKeyZVZJREQBRCRGLM-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.43
Rot. Bonds2

About 2-(4-morpholin-4-ylphenyl)guanidine

2-(4-morpholin-4-ylphenyl)guanidine (PubChem CID 10176830) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)guanidine
PubChem CID10176830
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(4-morpholin-4-ylphenyl)guanidine
SMILESNC(N)=Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H16N4O/c12-11(13)14-9-1-3-10(4-2-9)15-5-7-16-8-6-15/h1-4H,5-8H2,(H4,12,13,14)
InChIKeyZVZJREQBRCRGLM-UHFFFAOYSA-N
XLogP0.43
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)guanidine?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)guanidine (CID 10176830) is 2-(4-morpholin-4-ylphenyl)guanidine.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)guanidine?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)guanidine is NC(N)=Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)guanidine?
The InChIKey is ZVZJREQBRCRGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11(13)14-9-1-3-10(4-2-9)15-5-7-16-8-6-15/h1-4H,5-8H2,(H4,12,13,14).
What are the key properties of 2-(4-morpholin-4-ylphenyl)guanidine?
2-(4-morpholin-4-ylphenyl)guanidine has a molecular weight of 220.28 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)guanidine is sourced from PubChem (CID 10176830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).