2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide

C16H28IN5 — CID 110927127

IUPAC2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
SMILESCCN1CCN(C(C)C/N=C(\N)Nc2ccccc2)CC1.I
InChIInChI=1S/C16H27N5.HI/c1-3-20-9-11-21(12-10-20)14(2)13-18-16(17)19-15-7-5-4-6-8-15;/h4-8,14H,3,9-13H2,1-2H3,(H3,17,18,19);1H
InChIKeyWZTKZZIYIWLFFY-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide

2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide (PubChem CID 110927127) has the molecular formula C16H28IN5 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
PubChem CID110927127
Molecular FormulaC16H28IN5
Molecular Weight417.34 g/mol
Exact Mass417.14
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
SMILESCCN1CCN(C(C)C/N=C(\N)Nc2ccccc2)CC1.I
InChIInChI=1S/C16H27N5.HI/c1-3-20-9-11-21(12-10-20)14(2)13-18-16(17)19-15-7-5-4-6-8-15;/h4-8,14H,3,9-13H2,1-2H3,(H3,17,18,19);1H
InChIKeyWZTKZZIYIWLFFY-UHFFFAOYSA-N
XLogP2.06
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110935137
1-(2,6-diethylphenyl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111056052
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-phenylguanidine
CID 110927374
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111056062
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110926321
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 110927121
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111598659
1-(3-ethylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086038
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111070469
1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086030
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111061776
2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
CID 111439306

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide (CID 110927127) is 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide is CCN1CCN(C(C)C/N=C(\N)Nc2ccccc2)CC1.I.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide?
The InChIKey is WZTKZZIYIWLFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5.HI/c1-3-20-9-11-21(12-10-20)14(2)13-18-16(17)19-15-7-5-4-6-8-15;/h4-8,14H,3,9-13H2,1-2H3,(H3,17,18,19);1H.
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide?
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110927127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).