4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide

C17H26N4O — CID 111242887

IUPAC4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
SMILESC/N=C(/NC1CC1C)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N4O/c1-13-12-16(13)19-17(18-2)21-10-8-20(9-11-21)14-4-6-15(22-3)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,18,19)
InChIKeyNHNZIDFIWFPCEI-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.80
Rot. Bonds3

About 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide

4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide (PubChem CID 111242887) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
PubChem CID111242887
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
SMILESC/N=C(/NC1CC1C)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N4O/c1-13-12-16(13)19-17(18-2)21-10-8-20(9-11-21)14-4-6-15(22-3)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,18,19)
InChIKeyNHNZIDFIWFPCEI-UHFFFAOYSA-N
XLogP1.80
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 111132834
4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide
CID 111291299
N-[(4-methoxyphenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961407
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111242223
4-(4-methoxyphenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111242058
4-(4-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111242727
4-(4-methoxyphenyl)-N'-methyl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperazine-1-carboximidamide;hydroiodide
CID 109401814
N-[2-(2-fluorophenyl)cyclopropyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290119
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210034
N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 110962172
N-[3-(methanesulfonamido)propyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111243251
N-[4-(2-methoxyethoxy)butyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111242357

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide (CID 111242887) is 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide is C/N=C(/NC1CC1C)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The InChIKey is NHNZIDFIWFPCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-12-16(13)19-17(18-2)21-10-8-20(9-11-21)14-4-6-15(22-3)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,18,19).
What are the key properties of 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide has a molecular weight of 302.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111242887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).