4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide

C19H30FN3O2 — CID 111958249

IUPAC4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FN3O2/c1-3-24-18-10-13-23(14-11-18)19(21-2)22-12-4-5-15-25-17-8-6-16(20)7-9-17/h6-9,18H,3-5,10-15H2,1-2H3,(H,21,22)
InChIKeyUASOBNRNNMUTMR-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.06
Rot. Bonds8

About 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide

4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 111958249) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID111958249
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Name4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FN3O2/c1-3-24-18-10-13-23(14-11-18)19(21-2)22-12-4-5-15-25-17-8-6-16(20)7-9-17/h6-9,18H,3-5,10-15H2,1-2H3,(H,21,22)
InChIKeyUASOBNRNNMUTMR-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448804
ethyl 4-[N-[4-(4-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111163176
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
4-ethoxy-N'-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958874
ethyl 1-[N-[3-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155159
4-ethoxy-N-[3-[(4-methoxyphenyl)methoxy]propyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959684
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111959903
N',4-dimethyl-N-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111212024
4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide
CID 111958821
4-ethoxy-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959298
N-[3-(4-chlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960653
4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide
CID 111958703

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide (CID 111958249) is 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is UASOBNRNNMUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-3-24-18-10-13-23(14-11-18)19(21-2)22-12-4-5-15-25-17-8-6-16(20)7-9-17/h6-9,18H,3-5,10-15H2,1-2H3,(H,21,22).
What are the key properties of 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide?
4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 351.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111958249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).