N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C17H25FIN3 — CID 111435820

IUPACN'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC2(c3ccccc3F)CC2)CC1.I
InChIInChI=1S/C17H24FN3.HI/c1-13-6-10-21(11-7-13)16(19)20-12-17(8-9-17)14-4-2-3-5-15(14)18;/h2-5,13H,6-12H2,1H3,(H2,19,20);1H
InChIKeyMENCOPDOBBYFIJ-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.52
Rot. Bonds3

About N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111435820) has the molecular formula C17H25FIN3 and a molecular weight of 417.31 g/mol. Its IUPAC name is N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111435820
Molecular FormulaC17H25FIN3
Molecular Weight417.31 g/mol
Exact Mass417.11
IUPAC NameN'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC2(c3ccccc3F)CC2)CC1.I
InChIInChI=1S/C17H24FN3.HI/c1-13-6-10-21(11-7-13)16(19)20-12-17(8-9-17)14-4-2-3-5-15(14)18;/h2-5,13H,6-12H2,1H3,(H2,19,20);1H
InChIKeyMENCOPDOBBYFIJ-UHFFFAOYSA-N
XLogP3.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 111435820) is N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CC2(c3ccccc3F)CC2)CC1.I.
What is the InChIKey of N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is MENCOPDOBBYFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3.HI/c1-13-6-10-21(11-7-13)16(19)20-12-17(8-9-17)14-4-2-3-5-15(14)18;/h2-5,13H,6-12H2,1H3,(H2,19,20);1H.
What are the key properties of N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 417.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111435820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).