N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide

C10H19F3N4O — CID 104887072

IUPACN-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N4O/c1-18-6-4-15-9(16-14)17-5-2-3-8(7-17)10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeyXMPKKFHWQCHFTR-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.73
Rot. Bonds3

About N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887072) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887072
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC NameN-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N4O/c1-18-6-4-15-9(16-14)17-5-2-3-8(7-17)10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeyXMPKKFHWQCHFTR-UHFFFAOYSA-N
XLogP0.73
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882315
N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887063
N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887065
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887071
N-amino-N'-(1-methoxypropan-2-yl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887093
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-(3-methoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887098
N-amino-N'-(2-methoxyethyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887102
N-amino-N'-butyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 113531077

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887072) is N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide is COCC/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is XMPKKFHWQCHFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-18-6-4-15-9(16-14)17-5-2-3-8(7-17)10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 268.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).