4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide

C17H26ClIN4O — CID 111177775

IUPAC4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCOC1)N1CCN(c2ccccc2Cl)CC1.I
InChIInChI=1S/C17H25ClN4O.HI/c1-19-17(20-12-14-6-11-23-13-14)22-9-7-21(8-10-22)16-5-3-2-4-15(16)18;/h2-5,14H,6-13H2,1H3,(H,19,20);1H
InChIKeyCFHSKFCNTVGKIF-UHFFFAOYSA-N
MW464.78 g/mol
LogP2.69
Rot. Bonds3

About 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide

4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111177775) has the molecular formula C17H26ClIN4O and a molecular weight of 464.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111177775
Molecular FormulaC17H26ClIN4O
Molecular Weight464.78 g/mol
Exact Mass464.08
IUPAC Name4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCOC1)N1CCN(c2ccccc2Cl)CC1.I
InChIInChI=1S/C17H25ClN4O.HI/c1-19-17(20-12-14-6-11-23-13-14)22-9-7-21(8-10-22)16-5-3-2-4-15(16)18;/h2-5,14H,6-13H2,1H3,(H,19,20);1H
InChIKeyCFHSKFCNTVGKIF-UHFFFAOYSA-N
XLogP2.69
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.78
LogP ≤ 52.69
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

N'-methyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946459
4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111177797
4-(2-chlorophenyl)-N'-methyl-N-(2-methylsulfanylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111177513
4-(2-chlorophenyl)-N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111177382
4-(2-chlorophenyl)-N-(2-ethoxyethyl)-N'-methylpiperazine-1-carboximidamide
CID 111177618
4-(2-chlorophenyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111177333
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184817
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148855
4-(2-hydroxyphenyl)-N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 111186368
4-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111177522
4-(2-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111177346
N'-methyl-4-(oxolane-2-carbonyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
CID 111300281

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide (CID 111177775) is 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC1CCOC1)N1CCN(c2ccccc2Cl)CC1.I.
What is the InChIKey of 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is CFHSKFCNTVGKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O.HI/c1-19-17(20-12-14-6-11-23-13-14)22-9-7-21(8-10-22)16-5-3-2-4-15(16)18;/h2-5,14H,6-13H2,1H3,(H,19,20);1H.
What are the key properties of 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 464.78 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111177775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).