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

C14H25F3N4O — CID 111822483

IUPACN'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C14H25F3N4O/c15-14(16,17)11-20-5-2-12(3-6-20)1-4-19-13(18)21-7-9-22-10-8-21/h12H,1-11H2,(H2,18,19)
InChIKeyCHXDOQJTBYWQKV-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.30
Rot. Bonds4

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

N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide (PubChem CID 111822483) has the molecular formula C14H25F3N4O and a molecular weight of 322.38 g/mol. Its IUPAC name is N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide
PubChem CID111822483
Molecular FormulaC14H25F3N4O
Molecular Weight322.38 g/mol
Exact Mass322.20
IUPAC NameN'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C14H25F3N4O/c15-14(16,17)11-20-5-2-12(3-6-20)1-4-19-13(18)21-7-9-22-10-8-21/h12H,1-11H2,(H2,18,19)
InChIKeyCHXDOQJTBYWQKV-UHFFFAOYSA-N
XLogP1.30
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.30
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

4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 100667955
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'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111810817
N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]morpholine-4-carboximidamide
CID 111810818
N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111822482
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;hydroiodide
CID 111822530
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide (CID 111822483) is N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide is N/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide?
The InChIKey is CHXDOQJTBYWQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O/c15-14(16,17)11-20-5-2-12(3-6-20)1-4-19-13(18)21-7-9-22-10-8-21/h12H,1-11H2,(H2,18,19).
What are the key properties of N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide?
N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide has a molecular weight of 322.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111822483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).