4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

C18H28ClIN4O — CID 110018760

IUPAC4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CCCCO1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN4O.HI/c19-15-4-6-16(7-5-15)22-10-12-23(13-11-22)18(20)21-9-8-17-3-1-2-14-24-17;/h4-7,17H,1-3,8-14H2,(H2,20,21);1H
InChIKeyRSQBSQYECOERRS-UHFFFAOYSA-N
MW478.81 g/mol
LogP3.35
Rot. Bonds4

About 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 110018760) has the molecular formula C18H28ClIN4O and a molecular weight of 478.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID110018760
Molecular FormulaC18H28ClIN4O
Molecular Weight478.81 g/mol
Exact Mass478.10
IUPAC Name4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CCCCO1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN4O.HI/c19-15-4-6-16(7-5-15)22-10-12-23(13-11-22)18(20)21-9-8-17-3-1-2-14-24-17;/h4-7,17H,1-3,8-14H2,(H2,20,21);1H
InChIKeyRSQBSQYECOERRS-UHFFFAOYSA-N
XLogP3.35
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110033350
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757
N'-[2-(oxan-2-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 110018672
4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119120036
4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide
CID 119120037
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboximidamide
CID 111075115
4-(4-fluorophenyl)-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111811167
4-(4-fluorophenyl)-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperazine-1-carboximidamide
CID 111811168
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 19654469

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 110018760) is 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CCC1CCCCO1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is RSQBSQYECOERRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O.HI/c19-15-4-6-16(7-5-15)22-10-12-23(13-11-22)18(20)21-9-8-17-3-1-2-14-24-17;/h4-7,17H,1-3,8-14H2,(H2,20,21);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 478.81 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110018760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).