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

C11H20F3N3O — CID 111057752

IUPACN'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCCOCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)9-18-8-4-5-16-10(15)17-6-2-1-3-7-17/h1-9H2,(H2,15,16)
InChIKeyANQHEVCPFSUDJO-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.76
Rot. Bonds5

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

N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide (PubChem CID 111057752) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
PubChem CID111057752
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC NameN'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCCOCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)9-18-8-4-5-16-10(15)17-6-2-1-3-7-17/h1-9H2,(H2,15,16)
InChIKeyANQHEVCPFSUDJO-UHFFFAOYSA-N
XLogP1.76
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.76
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'}

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Related Compounds

4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 100667955
4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110919821
N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide
CID 111057668
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;hydroiodide
CID 111057751
1-Ethyl-3-(2-piperidin-1-ylethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111416117
2-Methyl-1-(2-piperidin-1-ylethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111416905
4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 111960179
4-ethoxy-N'-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 112001895
4-ethoxy-N'-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 112001896
4-ethoxy-N-ethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 112001897

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide (CID 111057752) is N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide is N/C(=N\CCCOCC(F)(F)F)N1CCCCC1.
What is the InChIKey of N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The InChIKey is ANQHEVCPFSUDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)9-18-8-4-5-16-10(15)17-6-2-1-3-7-17/h1-9H2,(H2,15,16).
What are the key properties of N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide has a molecular weight of 267.29 g/mol, XLogP of 1.76, 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 is sourced from PubChem (CID 111057752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).