N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide

C21H27IN4 — CID 110962172

IUPACN'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1c1ccccc1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C21H26N4.HI/c1-22-21(23-20-16-19(20)17-8-4-2-5-9-17)25-14-12-24(13-15-25)18-10-6-3-7-11-18;/h2-11,19-20H,12-16H2,1H3,(H,22,23);1H
InChIKeyOZFZIDIUFWSVQI-UHFFFAOYSA-N
MW462.38 g/mol
LogP3.56
Rot. Bonds3

About N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide

N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 110962172) has the molecular formula C21H27IN4 and a molecular weight of 462.38 g/mol. Its IUPAC name is N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID110962172
Molecular FormulaC21H27IN4
Molecular Weight462.38 g/mol
Exact Mass462.13
IUPAC NameN'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1c1ccccc1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C21H26N4.HI/c1-22-21(23-20-16-19(20)17-8-4-2-5-9-17)25-14-12-24(13-15-25)18-10-6-3-7-11-18;/h2-11,19-20H,12-16H2,1H3,(H,22,23);1H
InChIKeyOZFZIDIUFWSVQI-UHFFFAOYSA-N
XLogP3.56
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide
CID 111291299
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
N'-methyl-N-(2-phenylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376583
N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111723639
N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
CID 111346472
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
N-[2-(2-fluorophenyl)cyclopropyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290119
2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 66978926
4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111242887
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042
N-(2-methoxyethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961380
4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111148397

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide (CID 110962172) is N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide is C/N=C(/NC1CC1c1ccccc1)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is OZFZIDIUFWSVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4.HI/c1-22-21(23-20-16-19(20)17-8-4-2-5-9-17)25-14-12-24(13-15-25)18-10-6-3-7-11-18;/h2-11,19-20H,12-16H2,1H3,(H,22,23);1H.
What are the key properties of N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide?
N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 462.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110962172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).