N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C16H25FIN3O — CID 111465403

IUPACN'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(C)Oc2cccc(F)c2)CC1.I
InChIInChI=1S/C16H24FN3O.HI/c1-12-6-8-20(9-7-12)16(18)19-11-13(2)21-15-5-3-4-14(17)10-15;/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,18,19);1H
InChIKeyGUAXYLJTFDYILH-UHFFFAOYSA-N
MW421.30 g/mol
LogP3.26
Rot. Bonds4

About N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111465403) has the molecular formula C16H25FIN3O and a molecular weight of 421.30 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111465403
Molecular FormulaC16H25FIN3O
Molecular Weight421.30 g/mol
Exact Mass421.10
IUPAC NameN'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(C)Oc2cccc(F)c2)CC1.I
InChIInChI=1S/C16H24FN3O.HI/c1-12-6-8-20(9-7-12)16(18)19-11-13(2)21-15-5-3-4-14(17)10-15;/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,18,19);1H
InChIKeyGUAXYLJTFDYILH-UHFFFAOYSA-N
XLogP3.26
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
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

N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
CID 111465531
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919741
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide
CID 111970223
N'-[2-(4-fluorophenyl)-2-methoxyethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111498006
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
1-(3,5-dimethylphenyl)-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820505
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111681949

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 111465403) is N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CC(C)Oc2cccc(F)c2)CC1.I.
What is the InChIKey of N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GUAXYLJTFDYILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.HI/c1-12-6-8-20(9-7-12)16(18)19-11-13(2)21-15-5-3-4-14(17)10-15;/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,18,19);1H.
What are the key properties of N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 421.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111465403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).