4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide

C17H26ClN5S — CID 119146625

IUPAC4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
SMILESN/C(=N\CCN1CCSCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN5S/c18-15-1-3-16(4-2-15)22-7-9-23(10-8-22)17(19)20-5-6-21-11-13-24-14-12-21/h1-4H,5-14H2,(H2,19,20)
InChIKeyDFTIXLJPKAVNIJ-UHFFFAOYSA-N
MW367.95 g/mol
LogP1.83
Rot. Bonds4

About 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide

4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide (PubChem CID 119146625) has the molecular formula C17H26ClN5S and a molecular weight of 367.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
PubChem CID119146625
Molecular FormulaC17H26ClN5S
Molecular Weight367.95 g/mol
Exact Mass367.16
IUPAC Name4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
SMILESN/C(=N\CCN1CCSCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN5S/c18-15-1-3-16(4-2-15)22-7-9-23(10-8-22)17(19)20-5-6-21-11-13-24-14-12-21/h1-4H,5-14H2,(H2,19,20)
InChIKeyDFTIXLJPKAVNIJ-UHFFFAOYSA-N
XLogP1.83
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
4-(4-chlorophenyl)-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111071067
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111093183
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111066916
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111062149
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
N'-(2-benzylsulfinylethyl)-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 111807772
4-(4-chlorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973315

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide (CID 119146625) is 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide is N/C(=N\CCN1CCSCC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide?
The InChIKey is DFTIXLJPKAVNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5S/c18-15-1-3-16(4-2-15)22-7-9-23(10-8-22)17(19)20-5-6-21-11-13-24-14-12-21/h1-4H,5-14H2,(H2,19,20).
What are the key properties of 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide?
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide has a molecular weight of 367.95 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 119146625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).