N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide

C22H27FN4O — CID 111133811

IUPACN-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(/NC1CC1c1ccccc1F)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27FN4O/c1-24-22(25-19-15-17(19)16-7-3-4-8-18(16)23)27-13-11-26(12-14-27)20-9-5-6-10-21(20)28-2/h3-10,17,19H,11-15H2,1-2H3,(H,24,25)
InChIKeyQEXSNPTVVJYIST-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.09
Rot. Bonds4

About N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide

N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111133811) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111133811
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC NameN-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(/NC1CC1c1ccccc1F)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27FN4O/c1-24-22(25-19-15-17(19)16-7-3-4-8-18(16)23)27-13-11-26(12-14-27)20-9-5-6-10-21(20)28-2/h3-10,17,19H,11-15H2,1-2H3,(H,24,25)
InChIKeyQEXSNPTVVJYIST-UHFFFAOYSA-N
XLogP3.09
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.09
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'}

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Related Compounds

N-[2-(2-fluorophenyl)cyclopropyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290119
4-(2-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 111132834
4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111148397
methyl 1-[N-[2-(2-fluorophenyl)cyclopropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252196
N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133655
4-(2-methoxyphenyl)-N'-methyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111983705
N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119153263
N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488337
N-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111132617
4-(2-methoxyphenyl)-N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboximidamide
CID 111132847
4-(2-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111133651
4-(2-methoxyphenyl)-N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133328

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide (CID 111133811) is N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(/NC1CC1c1ccccc1F)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is QEXSNPTVVJYIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-24-22(25-19-15-17(19)16-7-3-4-8-18(16)23)27-13-11-26(12-14-27)20-9-5-6-10-21(20)28-2/h3-10,17,19H,11-15H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide?
N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 382.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111133811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).