N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide

C17H29IN4 — CID 110961404

IUPACN-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)C)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C17H28N4.HI/c1-4-18-17(19-14-15(2)3)21-12-10-20(11-13-21)16-8-6-5-7-9-16;/h5-9,15H,4,10-14H2,1-3H3,(H,18,19);1H
InChIKeyHQNVBLWGRMXEGA-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.05
Rot. Bonds4

About N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110961404) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110961404
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC NameN-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)C)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C17H28N4.HI/c1-4-18-17(19-14-15(2)3)21-12-10-20(11-13-21)16-8-6-5-7-9-16;/h5-9,15H,4,10-14H2,1-3H3,(H,18,19);1H
InChIKeyHQNVBLWGRMXEGA-UHFFFAOYSA-N
XLogP3.05
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.05
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

N-ethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 111546932
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960866
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-N'-[2-(4-phenylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206497
N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207275
N'-(cyclopropylmethyl)-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962040
N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207276
N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide
CID 111493476
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110961763
N-ethyl-4-(2-hydroxyphenyl)-N'-(2-phenylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111184535
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960789

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide (CID 110961404) is N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)C)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is HQNVBLWGRMXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-4-18-17(19-14-15(2)3)21-12-10-20(11-13-21)16-8-6-5-7-9-16;/h5-9,15H,4,10-14H2,1-3H3,(H,18,19);1H.
What are the key properties of N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110961404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).