4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide

C16H20ClF3N4 — CID 120973315

IUPAC4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\CC1(C(F)(F)F)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClF3N4/c17-12-1-3-13(4-2-12)23-7-9-24(10-8-23)14(21)22-11-15(5-6-15)16(18,19)20/h1-4H,5-11H2,(H2,21,22)
InChIKeyXQHOAFXZFCGBLP-UHFFFAOYSA-N
MW360.81 g/mol
LogP3.12
Rot. Bonds3

About 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide

4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide (PubChem CID 120973315) has the molecular formula C16H20ClF3N4 and a molecular weight of 360.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
PubChem CID120973315
Molecular FormulaC16H20ClF3N4
Molecular Weight360.81 g/mol
Exact Mass360.13
IUPAC Name4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\CC1(C(F)(F)F)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClF3N4/c17-12-1-3-13(4-2-12)23-7-9-24(10-8-23)14(21)22-11-15(5-6-15)16(18,19)20/h1-4H,5-11H2,(H2,21,22)
InChIKeyXQHOAFXZFCGBLP-UHFFFAOYSA-N
XLogP3.12
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 53.12
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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Related Compounds

4-(4-fluorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973301
4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120662414
4-[[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]methyl]oxane-4-carboxamide
CID 111069176
4-(4-chlorophenyl)-N'-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111068031
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120973293
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide (CID 120973315) is 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide is N/C(=N\CC1(C(F)(F)F)CC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide?
The InChIKey is XQHOAFXZFCGBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N4/c17-12-1-3-13(4-2-12)23-7-9-24(10-8-23)14(21)22-11-15(5-6-15)16(18,19)20/h1-4H,5-11H2,(H2,21,22).
What are the key properties of 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide?
4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide has a molecular weight of 360.81 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 120973315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).