4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide

C12H23F3IN3O — CID 110919821

IUPAC4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCOCC(F)(F)F)CC1.I
InChIInChI=1S/C12H22F3N3O.HI/c1-10-3-6-18(7-4-10)11(16)17-5-2-8-19-9-12(13,14)15;/h10H,2-9H2,1H3,(H2,16,17);1H
InChIKeyMAQOALCLOLDACB-UHFFFAOYSA-N
MW409.23 g/mol
LogP2.62
Rot. Bonds5

About 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110919821) has the molecular formula C12H23F3IN3O and a molecular weight of 409.23 g/mol. Its IUPAC name is 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110919821
Molecular FormulaC12H23F3IN3O
Molecular Weight409.23 g/mol
Exact Mass409.08
IUPAC Name4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCOCC(F)(F)F)CC1.I
InChIInChI=1S/C12H22F3N3O.HI/c1-10-3-6-18(7-4-10)11(16)17-5-2-8-19-9-12(13,14)15;/h10H,2-9H2,1H3,(H2,16,17);1H
InChIKeyMAQOALCLOLDACB-UHFFFAOYSA-N
XLogP2.62
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 52.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide (CID 110919821) is 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCCOCC(F)(F)F)CC1.I.
What is the InChIKey of 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MAQOALCLOLDACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O.HI/c1-10-3-6-18(7-4-10)11(16)17-5-2-8-19-9-12(13,14)15;/h10H,2-9H2,1H3,(H2,16,17);1H.
What are the key properties of 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 409.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110919821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).