1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C18H31IN4 — CID 111056610

IUPAC1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CC(C)N2CCCC(C)C2)c1.I
InChIInChI=1S/C18H30N4.HI/c1-4-16-8-5-9-17(11-16)21-18(19)20-12-15(3)22-10-6-7-14(2)13-22;/h5,8-9,11,14-15H,4,6-7,10,12-13H2,1-3H3,(H3,19,20,21);1H
InChIKeyUUZRPWJMWNGLCM-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.71
Rot. Bonds5

About 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111056610) has the molecular formula C18H31IN4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111056610
Molecular FormulaC18H31IN4
Molecular Weight430.38 g/mol
Exact Mass430.16
IUPAC Name1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CC(C)N2CCCC(C)C2)c1.I
InChIInChI=1S/C18H30N4.HI/c1-4-16-8-5-9-17(11-16)21-18(19)20-12-15(3)22-10-6-7-14(2)13-22;/h5,8-9,11,14-15H,4,6-7,10,12-13H2,1-3H3,(H3,19,20,21);1H
InChIKeyUUZRPWJMWNGLCM-UHFFFAOYSA-N
XLogP3.71
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.71
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

1-(3-ethylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086038
1-(3-ethylphenyl)-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111055120
1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111056619
1-(3-ethylphenyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111027456
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111086053
1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086030
1-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111097654
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030
1-(3-ethylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070553
1-(3-ethylphenyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077526
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927127
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111056610) is 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is CCc1cccc(N/C(N)=N/CC(C)N2CCCC(C)C2)c1.I.
What is the InChIKey of 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is UUZRPWJMWNGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.HI/c1-4-16-8-5-9-17(11-16)21-18(19)20-12-15(3)22-10-6-7-14(2)13-22;/h5,8-9,11,14-15H,4,6-7,10,12-13H2,1-3H3,(H3,19,20,21);1H.
What are the key properties of 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 430.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111056610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).