N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide

C12H21F3N4 — CID 104887069

IUPACN-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESNN/C(=N\C1CCCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N4/c13-12(14,15)9-4-3-7-19(8-9)11(18-16)17-10-5-1-2-6-10/h9-10H,1-8,16H2,(H,17,18)
InChIKeyAIYCXOWJAVHMHF-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.02
Rot. Bonds1

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

N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887069) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887069
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC NameN-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESNN/C(=N\C1CCCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N4/c13-12(14,15)9-4-3-7-19(8-9)11(18-16)17-10-5-1-2-6-10/h9-10H,1-8,16H2,(H,17,18)
InChIKeyAIYCXOWJAVHMHF-UHFFFAOYSA-N
XLogP2.02
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.02
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'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538459
N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882315
N-amino-N'-methyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882318
N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885933
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'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887070
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887071
N-amino-N'-ethyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887095
N-amino-N'-propyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887096
N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887097

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887069) is N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide is NN/C(=N\C1CCCC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is AIYCXOWJAVHMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c13-12(14,15)9-4-3-7-19(8-9)11(18-16)17-10-5-1-2-6-10/h9-10H,1-8,16H2,(H,17,18).
What are the key properties of N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 278.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).