2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide

C15H27F3N4O — CID 120661778

IUPAC2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCC2CCN(CC(F)(F)F)CC2)CCO1
InChIInChI=1S/C15H27F3N4O/c1-12-10-22(8-9-23-12)14(19)20-5-2-13-3-6-21(7-4-13)11-15(16,17)18/h12-13H,2-11H2,1H3,(H2,19,20)
InChIKeyAGLKOJXEMIFOBY-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide

2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide (PubChem CID 120661778) has the molecular formula C15H27F3N4O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide
PubChem CID120661778
Molecular FormulaC15H27F3N4O
Molecular Weight336.40 g/mol
Exact Mass336.21
IUPAC Name2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCC2CCN(CC(F)(F)F)CC2)CCO1
InChIInChI=1S/C15H27F3N4O/c1-12-10-22(8-9-23-12)14(19)20-5-2-13-3-6-21(7-4-13)11-15(16,17)18/h12-13H,2-11H2,1H3,(H2,19,20)
InChIKeyAGLKOJXEMIFOBY-UHFFFAOYSA-N
XLogP1.69
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(2-Methoxyethyl)piperidin-4-yl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471527
1-Ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109475093
N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111822482
N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide
CID 111822483
2-(3-Morpholin-4-ylpropyl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111822490
2-(3-Morpholin-4-ylpropyl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111822491
2-Methyl-1-(2-morpholin-4-ylethyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111822531
1-Ethyl-3-(2-methoxyethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968015
1-(2-Methoxyethyl)-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968021
1-Ethyl-2-(3-morpholin-4-ylpropyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111968096
1-Ethyl-2-(3-morpholin-4-ylpropyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968097
1-Ethyl-3-(2-morpholin-4-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968483

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide (CID 120661778) is 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide is CC1CN(/C(N)=N/CCC2CCN(CC(F)(F)F)CC2)CCO1.
What is the InChIKey of 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide?
The InChIKey is AGLKOJXEMIFOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N4O/c1-12-10-22(8-9-23-12)14(19)20-5-2-13-3-6-21(7-4-13)11-15(16,17)18/h12-13H,2-11H2,1H3,(H2,19,20).
What are the key properties of 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide?
2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide has a molecular weight of 336.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120661778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).