N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

C17H27IN4O — CID 119153328

IUPACN-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CCC1)N1CCN(c2cccc(OC)c2)CC1.I
InChIInChI=1S/C17H26N4O.HI/c1-18-17(19-14-5-3-6-14)21-11-9-20(10-12-21)15-7-4-8-16(13-15)22-2;/h4,7-8,13-14H,3,5-6,9-12H2,1-2H3,(H,18,19);1H
InChIKeyZEQRGRKRTSLQBB-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.56
Rot. Bonds3

About N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119153328) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119153328
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC NameN-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CCC1)N1CCN(c2cccc(OC)c2)CC1.I
InChIInChI=1S/C17H26N4O.HI/c1-18-17(19-14-5-3-6-14)21-11-9-20(10-12-21)15-7-4-8-16(13-15)22-2;/h4,7-8,13-14H,3,5-6,9-12H2,1-2H3,(H,18,19);1H
InChIKeyZEQRGRKRTSLQBB-UHFFFAOYSA-N
XLogP2.56
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.56
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-ethyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290436
4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide
CID 111291299
N-[2-(2-fluorophenyl)cyclopropyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290119
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 111290635
N-[[4-(methoxymethyl)phenyl]methyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111289968
N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290688
4-(3-methoxyphenyl)-N'-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111289996
N-(3-butoxypropyl)-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290269
4-(3-methoxyphenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111290604
N-(5-methoxypentyl)-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290233
N-[2-(2-butoxyethoxy)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111499497
4-(3-methoxyphenyl)-N'-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperazine-1-carboximidamide
CID 111290223

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (CID 119153328) is N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NC1CCC1)N1CCN(c2cccc(OC)c2)CC1.I.
What is the InChIKey of N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZEQRGRKRTSLQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-18-17(19-14-5-3-6-14)21-11-9-20(10-12-21)15-7-4-8-16(13-15)22-2;/h4,7-8,13-14H,3,5-6,9-12H2,1-2H3,(H,18,19);1H.
What are the key properties of N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119153328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).