N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide

C14H18F3N5O — CID 71511887

IUPACN'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESN/C(=N/C(N)=N/c1cccc(OC(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)23-11-6-4-5-10(9-11)20-12(18)21-13(19)22-7-2-1-3-8-22/h4-6,9H,1-3,7-8H2,(H4,18,19,20,21)
InChIKeyITJVBIYXLUTENM-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.33
Rot. Bonds2

About N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide

N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 71511887) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID71511887
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESN/C(=N/C(N)=N/c1cccc(OC(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)23-11-6-4-5-10(9-11)20-12(18)21-13(19)22-7-2-1-3-8-22/h4-6,9H,1-3,7-8H2,(H4,18,19,20,21)
InChIKeyITJVBIYXLUTENM-UHFFFAOYSA-N
XLogP2.33
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide (CID 71511887) is N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide is N/C(=N/C(N)=N/c1cccc(OC(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is ITJVBIYXLUTENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c15-14(16,17)23-11-6-4-5-10(9-11)20-12(18)21-13(19)22-7-2-1-3-8-22/h4-6,9H,1-3,7-8H2,(H4,18,19,20,21).
What are the key properties of N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 329.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 71511887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).