2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine

C17H28N4O2 — CID 111799936

IUPAC2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CC(CO)c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C17H28N4O2/c18-17(19-7-4-8-21-9-11-23-12-10-21)20-13-16(14-22)15-5-2-1-3-6-15/h1-3,5-6,16,22H,4,7-14H2,(H3,18,19,20)
InChIKeyLYWHHBLPYDHFIH-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.39
Rot. Bonds8

About 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine

2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111799936) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111799936
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CC(CO)c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C17H28N4O2/c18-17(19-7-4-8-21-9-11-23-12-10-21)20-13-16(14-22)15-5-2-1-3-6-15/h1-3,5-6,16,22H,4,7-14H2,(H3,18,19,20)
InChIKeyLYWHHBLPYDHFIH-UHFFFAOYSA-N
XLogP0.39
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111660241
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111061757
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111055279
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111060911
2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111027452
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
1-(3-morpholin-4-ylpropyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558587
2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111085971
1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029856

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine (CID 111799936) is 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine is N/C(=N\CC(CO)c1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is LYWHHBLPYDHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c18-17(19-7-4-8-21-9-11-23-12-10-21)20-13-16(14-22)15-5-2-1-3-6-15/h1-3,5-6,16,22H,4,7-14H2,(H3,18,19,20).
What are the key properties of 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine?
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 320.44 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111799936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).