N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide

C14H17F4N5 — CID 78092981

IUPACN'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(F)c(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H17F4N5/c15-11-5-4-9(8-10(11)14(16,17)18)21-12(19)22-13(20)23-6-2-1-3-7-23/h4-5,8H,1-3,6-7H2,(H4,19,20,21,22)
InChIKeySOARXXJOEYYCCX-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.59
Rot. Bonds1

About N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide

N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 78092981) has the molecular formula C14H17F4N5 and a molecular weight of 331.32 g/mol. Its IUPAC name is N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID78092981
Molecular FormulaC14H17F4N5
Molecular Weight331.32 g/mol
Exact Mass331.14
IUPAC NameN'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESNC(=N/C(N)=N/c1ccc(F)c(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H17F4N5/c15-11-5-4-9(8-10(11)14(16,17)18)21-12(19)22-13(20)23-6-2-1-3-7-23/h4-5,8H,1-3,6-7H2,(H4,19,20,21,22)
InChIKeySOARXXJOEYYCCX-UHFFFAOYSA-N
XLogP2.59
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide (CID 78092981) is N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide is NC(=N/C(N)=N/c1ccc(F)c(C(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is SOARXXJOEYYCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N5/c15-11-5-4-9(8-10(11)14(16,17)18)21-12(19)22-13(20)23-6-2-1-3-7-23/h4-5,8H,1-3,6-7H2,(H4,19,20,21,22).
What are the key properties of N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 331.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 78092981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).