4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide

C19H31FN4O — CID 111958821

IUPAC4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCN(C)c2cccc(F)c2)CC1
InChIInChI=1S/C19H31FN4O/c1-4-25-18-9-13-24(14-10-18)19(21-2)22-11-6-12-23(3)17-8-5-7-16(20)15-17/h5,7-8,15,18H,4,6,9-14H2,1-3H3,(H,21,22)
InChIKeyOQTKILARZMAKAT-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.73
Rot. Bonds7

About 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide

4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 111958821) has the molecular formula C19H31FN4O and a molecular weight of 350.48 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID111958821
Molecular FormulaC19H31FN4O
Molecular Weight350.48 g/mol
Exact Mass350.25
IUPAC Name4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCN(C)c2cccc(F)c2)CC1
InChIInChI=1S/C19H31FN4O/c1-4-25-18-9-13-24(14-10-18)19(21-2)22-11-6-12-23(3)17-8-5-7-16(20)15-17/h5,7-8,15,18H,4,6,9-14H2,1-3H3,(H,21,22)
InChIKeyOQTKILARZMAKAT-UHFFFAOYSA-N
XLogP2.73
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.73
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

4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
CID 111958249
N-[3-(diethylamino)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959725
N-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960053
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471
N-[2-(2,6-dichlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960837
4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide
CID 111959403
N-[3-(4-chlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960653
ethyl 4-[N'-methyl-N-[3-(N-methylanilino)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163448
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111959903
4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111960178
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959165
4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide
CID 111958114

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide (CID 111958821) is 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCCN(C)c2cccc(F)c2)CC1.
What is the InChIKey of 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is OQTKILARZMAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O/c1-4-25-18-9-13-24(14-10-18)19(21-2)22-11-6-12-23(3)17-8-5-7-16(20)15-17/h5,7-8,15,18H,4,6,9-14H2,1-3H3,(H,21,22).
What are the key properties of 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide?
4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 350.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(3-fluoro-N-methylanilino)propyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111958821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).