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

C7H13F3N4 — CID 77073391

IUPACN'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILESNN=C(N)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N4/c8-7(9,10)5-1-3-14(4-2-5)6(11)13-12/h5H,1-4,12H2,(H2,11,13)
InChIKeyUEAPLGUVRLYGEM-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.45
Rot. Bonds

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

N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 77073391) has the molecular formula C7H13F3N4 and a molecular weight of 210.20 g/mol. Its IUPAC name is N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID77073391
Molecular FormulaC7H13F3N4
Molecular Weight210.20 g/mol
Exact Mass210.11
IUPAC NameN'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILESNN=C(N)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N4/c8-7(9,10)5-1-3-14(4-2-5)6(11)13-12/h5H,1-4,12H2,(H2,11,13)
InChIKeyUEAPLGUVRLYGEM-UHFFFAOYSA-N
XLogP0.45
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.45
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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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide (CID 77073391) is N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide is NN=C(N)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is UEAPLGUVRLYGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N4/c8-7(9,10)5-1-3-14(4-2-5)6(11)13-12/h5H,1-4,12H2,(H2,11,13).
What are the key properties of N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide?
N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 210.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 77073391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).