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

C15H26IN5 — CID 110935137

IUPAC2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1ccccc1)N1CCN(C)CC1.I
InChIInChI=1S/C15H25N5.HI/c1-13(20-10-8-19(2)9-11-20)12-17-15(16)18-14-6-4-3-5-7-14;/h3-7,13H,8-12H2,1-2H3,(H3,16,17,18);1H
InChIKeyALPNFROXLYXBBF-UHFFFAOYSA-N
MW403.31 g/mol
LogP1.67
Rot. Bonds4

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

2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide (PubChem CID 110935137) has the molecular formula C15H26IN5 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
PubChem CID110935137
Molecular FormulaC15H26IN5
Molecular Weight403.31 g/mol
Exact Mass403.12
IUPAC Name2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1ccccc1)N1CCN(C)CC1.I
InChIInChI=1S/C15H25N5.HI/c1-13(20-10-8-19(2)9-11-20)12-17-15(16)18-14-6-4-3-5-7-14;/h3-7,13H,8-12H2,1-2H3,(H3,16,17,18);1H
InChIKeyALPNFROXLYXBBF-UHFFFAOYSA-N
XLogP1.67
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 51.67
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-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927127
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110926321
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111061776
1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086030
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111042416
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111067307
1-(2,6-diethylphenyl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111056052
1-(3-ethylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086038
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111042380
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111056062
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-phenylguanidine
CID 110927374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide (CID 110935137) is 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide is CC(C/N=C(\N)Nc1ccccc1)N1CCN(C)CC1.I.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide?
The InChIKey is ALPNFROXLYXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.HI/c1-13(20-10-8-19(2)9-11-20)12-17-15(16)18-14-6-4-3-5-7-14;/h3-7,13H,8-12H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide?
2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110935137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).