N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide

C13H23F3N4 — CID 104887097

IUPACN-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4/c14-13(15,16)10-6-8-20(9-7-10)12(19-17)18-11-4-2-1-3-5-11/h10-11H,1-9,17H2,(H,18,19)
InChIKeyAIFLUUPGHZHLEB-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.41
Rot. Bonds1

About N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887097) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887097
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC NameN-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4/c14-13(15,16)10-6-8-20(9-7-10)12(19-17)18-11-4-2-1-3-5-11/h10-11H,1-9,17H2,(H,18,19)
InChIKeyAIFLUUPGHZHLEB-UHFFFAOYSA-N
XLogP2.41
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536342
N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882315
N-amino-N'-methyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882318
3-Amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884458
3-Amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884479
N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885931
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'-cyclohexyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887067
N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887069
N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887070
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887071

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887097) is N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide is NN/C(=N\C1CCCCC1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is AIFLUUPGHZHLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c14-13(15,16)10-6-8-20(9-7-10)12(19-17)18-11-4-2-1-3-5-11/h10-11H,1-9,17H2,(H,18,19).
What are the key properties of N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 292.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).