1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C17H29IN4 — CID 111086030

IUPAC1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CC(C)N2CCC(C)CC2)cc1.I
InChIInChI=1S/C17H28N4.HI/c1-13-4-6-16(7-5-13)20-17(18)19-12-15(3)21-10-8-14(2)9-11-21;/h4-7,14-15H,8-12H2,1-3H3,(H3,18,19,20);1H
InChIKeySLQGQYIFUJGGRW-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.46
Rot. Bonds4

About 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111086030) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111086030
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CC(C)N2CCC(C)CC2)cc1.I
InChIInChI=1S/C17H28N4.HI/c1-13-4-6-16(7-5-13)20-17(18)19-12-15(3)21-10-8-14(2)9-11-21;/h4-7,14-15H,8-12H2,1-3H3,(H3,18,19,20);1H
InChIKeySLQGQYIFUJGGRW-UHFFFAOYSA-N
XLogP3.46
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylpiperidin-1-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111086037
1-(3-ethylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086038
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111086053
1-(4-methylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042523
2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110935137
2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide
CID 75532885
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111099075
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927127
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
1-(4-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111029043
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086024

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111086030) is 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is Cc1ccc(N/C(N)=N/CC(C)N2CCC(C)CC2)cc1.I.
What is the InChIKey of 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is SLQGQYIFUJGGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-13-4-6-16(7-5-13)20-17(18)19-12-15(3)21-10-8-14(2)9-11-21;/h4-7,14-15H,8-12H2,1-3H3,(H3,18,19,20);1H.
What are the key properties of 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111086030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).