N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

C16H25FIN3O — CID 111144151

IUPACN-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOc1cccc(F)c1)N1CCCC(C)C1.I
InChIInChI=1S/C16H24FN3O.HI/c1-13-5-4-9-20(12-13)16(18-2)19-8-10-21-15-7-3-6-14(17)11-15;/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H,18,19);1H
InChIKeyRJMDVAKDQXDIQB-UHFFFAOYSA-N
MW421.30 g/mol
LogP3.13
Rot. Bonds4

About N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111144151) has the molecular formula C16H25FIN3O and a molecular weight of 421.30 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111144151
Molecular FormulaC16H25FIN3O
Molecular Weight421.30 g/mol
Exact Mass421.10
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOc1cccc(F)c1)N1CCCC(C)C1.I
InChIInChI=1S/C16H24FN3O.HI/c1-13-5-4-9-20(12-13)16(18-2)19-8-10-21-15-7-3-6-14(17)11-15;/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H,18,19);1H
InChIKeyRJMDVAKDQXDIQB-UHFFFAOYSA-N
XLogP3.13
TPSA36.86 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111143750
N-[2-(3-fluorophenoxy)ethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740965
ethyl 4-[N-[2-(3-fluorophenoxy)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162981
N-[3-(4-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144532
N-[2-(3-fluorophenoxy)ethyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301381
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144724
1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110990204
N'-methyl-N-(2-phenoxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723460
N-[2-(3-methoxyphenoxy)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442593
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111145605

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111144151) is N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCOc1cccc(F)c1)N1CCCC(C)C1.I.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is RJMDVAKDQXDIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.HI/c1-13-5-4-9-20(12-13)16(18-2)19-8-10-21-15-7-3-6-14(17)11-15;/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 421.30 g/mol, XLogP of 3.13, 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)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111144151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).