2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide

C20H32FIN4 — CID 111019486

IUPAC2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCCN1CCC(N/C(=N/CC)NC2CC2c2ccccc2F)CC1.I
InChIInChI=1S/C20H31FN4.HI/c1-3-11-25-12-9-15(10-13-25)23-20(22-4-2)24-19-14-17(19)16-7-5-6-8-18(16)21;/h5-8,15,17,19H,3-4,9-14H2,1-2H3,(H2,22,23,24);1H
InChIKeyOGJSMJJMTZMUJN-UHFFFAOYSA-N
MW474.41 g/mol
LogP3.73
Rot. Bonds6

About 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide

2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111019486) has the molecular formula C20H32FIN4 and a molecular weight of 474.41 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
PubChem CID111019486
Molecular FormulaC20H32FIN4
Molecular Weight474.41 g/mol
Exact Mass474.17
IUPAC Name2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCCN1CCC(N/C(=N/CC)NC2CC2c2ccccc2F)CC1.I
InChIInChI=1S/C20H31FN4.HI/c1-3-11-25-12-9-15(10-13-25)23-20(22-4-2)24-19-14-17(19)16-7-5-6-8-18(16)21;/h5-8,15,17,19H,3-4,9-14H2,1-2H3,(H2,22,23,24);1H
InChIKeyOGJSMJJMTZMUJN-UHFFFAOYSA-N
XLogP3.73
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 53.73
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-(1-benzylpiperidin-4-yl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 110987187
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111916040
2-ethyl-1-(3-ethylsulfinylcyclohexyl)-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 109440332
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111916041
2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111834508
1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
CID 111316104
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111896762
2-(4-ethoxybutyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111946038
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109474139
1-(3-butoxypropyl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 111238889
1-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111789027

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The IUPAC name of 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide (CID 111019486) is 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The canonical SMILES for 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide is CCCN1CCC(N/C(=N/CC)NC2CC2c2ccccc2F)CC1.I.
What is the InChIKey of 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The InChIKey is OGJSMJJMTZMUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4.HI/c1-3-11-25-12-9-15(10-13-25)23-20(22-4-2)24-19-14-17(19)16-7-5-6-8-18(16)21;/h5-8,15,17,19H,3-4,9-14H2,1-2H3,(H2,22,23,24);1H.
What are the key properties of 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 474.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111019486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).