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

C16H21ClF2N4 — CID 120662414

IUPAC4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\CC1(C(F)F)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClF2N4/c17-12-1-3-13(4-2-12)22-7-9-23(10-8-22)15(20)21-11-16(5-6-16)14(18)19/h1-4,14H,5-11H2,(H2,20,21)
InChIKeyDXYKBGSLHLSNIQ-UHFFFAOYSA-N
MW342.82 g/mol
LogP2.82
Rot. Bonds4

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

4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide (PubChem CID 120662414) has the molecular formula C16H21ClF2N4 and a molecular weight of 342.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
PubChem CID120662414
Molecular FormulaC16H21ClF2N4
Molecular Weight342.82 g/mol
Exact Mass342.14
IUPAC Name4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\CC1(C(F)F)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClF2N4/c17-12-1-3-13(4-2-12)22-7-9-23(10-8-22)15(20)21-11-16(5-6-16)14(18)19/h1-4,14H,5-11H2,(H2,20,21)
InChIKeyDXYKBGSLHLSNIQ-UHFFFAOYSA-N
XLogP2.82
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 52.82
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'}

Analyze 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-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

Related Compounds

4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973315
N'-[[1-(difluoromethyl)cyclopropyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120662409
4-[[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]methyl]oxane-4-carboxamide
CID 111069176
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
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
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-fluorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973301
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide (CID 120662414) is 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide is N/C(=N\CC1(C(F)F)CC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide?
The InChIKey is DXYKBGSLHLSNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF2N4/c17-12-1-3-13(4-2-12)22-7-9-23(10-8-22)15(20)21-11-16(5-6-16)14(18)19/h1-4,14H,5-11H2,(H2,20,21).
What are the key properties of 4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide?
4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide has a molecular weight of 342.82 g/mol, XLogP of 2.82, 4 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-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 120662414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).