N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide

C22H39IN6 — CID 110960866

IUPACN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C22H38N6.HI/c1-4-23-22(24-19-20(3)26-13-11-25(5-2)12-14-26)28-17-15-27(16-18-28)21-9-7-6-8-10-21;/h6-10,20H,4-5,11-19H2,1-3H3,(H,23,24);1H
InChIKeyLJWGUOMDKUPNBX-UHFFFAOYSA-N
MW514.50 g/mol
LogP2.42
Rot. Bonds6

About N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110960866) has the molecular formula C22H39IN6 and a molecular weight of 514.50 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110960866
Molecular FormulaC22H39IN6
Molecular Weight514.50 g/mol
Exact Mass514.23
IUPAC NameN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C22H38N6.HI/c1-4-23-22(24-19-20(3)26-13-11-25(5-2)12-14-26)28-17-15-27(16-18-28)21-9-7-6-8-10-21;/h6-10,20H,4-5,11-19H2,1-3H3,(H,23,24);1H
InChIKeyLJWGUOMDKUPNBX-UHFFFAOYSA-N
XLogP2.42
TPSA37.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-[2-(4-phenylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206497
N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961404
4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111152764
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 110959577
N-ethyl-3-morpholin-4-yl-N'-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111726513
N-ethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 111546932
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746252
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960934
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111741274
N'-(cyclopropylmethyl)-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962040
1-ethyl-2-[2-(4-phenylpiperazin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473892

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide (CID 110960866) is N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is LJWGUOMDKUPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6.HI/c1-4-23-22(24-19-20(3)26-13-11-25(5-2)12-14-26)28-17-15-27(16-18-28)21-9-7-6-8-10-21;/h6-10,20H,4-5,11-19H2,1-3H3,(H,23,24);1H.
What are the key properties of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 514.50 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110960866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).