N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide

C14H19F3N4 — CID 62361671

IUPACN'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N4/c1-2-19-13(18)21-8-6-20(7-9-21)12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,2,6-9H2,1H3,(H2,18,19)
InChIKeyVQHQZCJUCALIPE-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.16
Rot. Bonds2

About N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide

N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide (PubChem CID 62361671) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
PubChem CID62361671
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC NameN'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N4/c1-2-19-13(18)21-8-6-20(7-9-21)12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,2,6-9H2,1H3,(H2,18,19)
InChIKeyVQHQZCJUCALIPE-UHFFFAOYSA-N
XLogP2.16
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
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'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide (CID 62361671) is N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide is CC/N=C(\N)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The InChIKey is VQHQZCJUCALIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-2-19-13(18)21-8-6-20(7-9-21)12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,2,6-9H2,1H3,(H2,18,19).
What are the key properties of N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide has a molecular weight of 300.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide is sourced from PubChem (CID 62361671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).