N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide

C16H26FIN4 — CID 111029389

IUPACN'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN(C)C(C/N=C(\N)N1CCCCC1)c1cccc(F)c1.I
InChIInChI=1S/C16H25FN4.HI/c1-20(2)15(13-7-6-8-14(17)11-13)12-19-16(18)21-9-4-3-5-10-21;/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H2,18,19);1H
InChIKeyGQESZOVXRPKQJD-UHFFFAOYSA-N
MW420.31 g/mol
LogP2.85
Rot. Bonds4

About N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111029389) has the molecular formula C16H26FIN4 and a molecular weight of 420.31 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111029389
Molecular FormulaC16H26FIN4
Molecular Weight420.31 g/mol
Exact Mass420.12
IUPAC NameN'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN(C)C(C/N=C(\N)N1CCCCC1)c1cccc(F)c1.I
InChIInChI=1S/C16H25FN4.HI/c1-20(2)15(13-7-6-8-14(17)11-13)12-19-16(18)21-9-4-3-5-10-21;/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H2,18,19);1H
InChIKeyGQESZOVXRPKQJD-UHFFFAOYSA-N
XLogP2.85
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 52.85
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-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919741
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
CID 111029314
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
CID 111056561
N'-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111815483
ethyl 4-[[N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111029355
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920341
N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111028952
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111029305
(3R)-N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551390

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111029389) is N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide is CN(C)C(C/N=C(\N)N1CCCCC1)c1cccc(F)c1.I.
What is the InChIKey of N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is GQESZOVXRPKQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4.HI/c1-20(2)15(13-7-6-8-14(17)11-13)12-19-16(18)21-9-4-3-5-10-21;/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H2,18,19);1H.
What are the key properties of N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 420.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111029389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).