N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide

C19H34IN5O — CID 111133312

IUPACN'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCN(C)C)N1CCN(c2ccccc2OC)CC1.I
InChIInChI=1S/C19H33N5O.HI/c1-5-20-19(21-11-8-12-22(2)3)24-15-13-23(14-16-24)17-9-6-7-10-18(17)25-4;/h6-7,9-10H,5,8,11-16H2,1-4H3,(H,20,21);1H
InChIKeyXVFZXXGIQIJQAE-UHFFFAOYSA-N
MW475.42 g/mol
LogP2.35
Rot. Bonds7

About N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide

N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111133312) has the molecular formula C19H34IN5O and a molecular weight of 475.42 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111133312
Molecular FormulaC19H34IN5O
Molecular Weight475.42 g/mol
Exact Mass475.18
IUPAC NameN'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCN(C)C)N1CCN(c2ccccc2OC)CC1.I
InChIInChI=1S/C19H33N5O.HI/c1-5-20-19(21-11-8-12-22(2)3)24-15-13-23(14-16-24)17-9-6-7-10-18(17)25-4;/h6-7,9-10H,5,8,11-16H2,1-4H3,(H,20,21);1H
InChIKeyXVFZXXGIQIJQAE-UHFFFAOYSA-N
XLogP2.35
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(4-ethoxybutyl)-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133402
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133548
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111185280
N-ethyl-4-(2-methoxyphenyl)-N'-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111133052
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133433
N-ethyl-4-(2-methoxyphenyl)-N'-(2-methylsulfonylethyl)piperazine-1-carboximidamide
CID 111132845
N-[2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111133630
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133965
N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide
CID 75420816
N-ethyl-4-(2-methoxyphenyl)-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111132732
2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111133838
N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 116512996

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide (CID 111133312) is N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCN(C)C)N1CCN(c2ccccc2OC)CC1.I.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is XVFZXXGIQIJQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.HI/c1-5-20-19(21-11-8-12-22(2)3)24-15-13-23(14-16-24)17-9-6-7-10-18(17)25-4;/h6-7,9-10H,5,8,11-16H2,1-4H3,(H,20,21);1H.
What are the key properties of N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide?
N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 475.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111133312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).