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

C11H21F3IN3O — CID 111057751

IUPACN'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCOCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H20F3N3O.HI/c12-11(13,14)9-18-8-4-5-16-10(15)17-6-2-1-3-7-17;/h1-9H2,(H2,15,16);1H
InChIKeyWRJYWVJQWZHEFO-UHFFFAOYSA-N
MW395.21 g/mol
LogP2.37
Rot. Bonds5

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

N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111057751) has the molecular formula C11H21F3IN3O and a molecular weight of 395.21 g/mol. Its IUPAC name is N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111057751
Molecular FormulaC11H21F3IN3O
Molecular Weight395.21 g/mol
Exact Mass395.07
IUPAC NameN'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCOCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H20F3N3O.HI/c12-11(13,14)9-18-8-4-5-16-10(15)17-6-2-1-3-7-17;/h1-9H2,(H2,15,16);1H
InChIKeyWRJYWVJQWZHEFO-UHFFFAOYSA-N
XLogP2.37
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 52.37
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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Related Compounds

4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 100667955
N-ethyl-4-(3-methoxypropoxy)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 109507628
4-(3-methoxypropoxy)-N'-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 109509018
4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110919821
2-Methyl-1-(1-propylpiperidin-4-yl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111017368
N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111057667
3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111057715
3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 111057716
N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 111057752
N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111144147
N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111144427
N-ethyl-3,5-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111153336

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111057751) is N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCOCC(F)(F)F)N1CCCCC1.
What is the InChIKey of N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WRJYWVJQWZHEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O.HI/c12-11(13,14)9-18-8-4-5-16-10(15)17-6-2-1-3-7-17;/h1-9H2,(H2,15,16);1H.
What are the key properties of N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 395.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111057751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).