N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide

C15H19ClN4 — CID 119147787

IUPACN'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
SMILESC#CCC/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN4/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-6-4-13(16)5-7-14/h1,4-7H,3,8-12H2,(H2,17,18)
InChIKeyDOJOGOSYUHHVSC-UHFFFAOYSA-N
MW290.80 g/mol
LogP1.80
Rot. Bonds3

About N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide

N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide (PubChem CID 119147787) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
PubChem CID119147787
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC NameN'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
SMILESC#CCC/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN4/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-6-4-13(16)5-7-14/h1,4-7H,3,8-12H2,(H2,17,18)
InChIKeyDOJOGOSYUHHVSC-UHFFFAOYSA-N
XLogP1.80
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
4-(4-chlorophenyl)-N'-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111067213
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
4-(4-chlorophenyl)-N'-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111030659
4-(4-chlorophenyl)-N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111817237
4-(4-chlorophenyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-carboximidamide
CID 111092906
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
4-(4-chlorophenyl)-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111071067
N'-(2-benzylsulfinylethyl)-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 111807772

Frequently Asked Questions

What is the IUPAC name of N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide (CID 119147787) is N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide is C#CCC/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide?
The InChIKey is DOJOGOSYUHHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-6-4-13(16)5-7-14/h1,4-7H,3,8-12H2,(H2,17,18).
What are the key properties of N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide?
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide has a molecular weight of 290.80 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 119147787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).