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

C20H34IN5 — CID 111057213

IUPACN'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1.I
InChIInChI=1S/C20H33N5.HI/c1-2-23-15-17-24(18-16-23)14-11-21-20(25-12-7-4-8-13-25)22-19-9-5-3-6-10-19;/h3,5-6,9-10H,2,4,7-8,11-18H2,1H3,(H,21,22);1H
InChIKeyPLZVEUKDXCXVEO-UHFFFAOYSA-N
MW471.43 g/mol
LogP3.20
Rot. Bonds5

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

N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111057213) has the molecular formula C20H34IN5 and a molecular weight of 471.43 g/mol. Its IUPAC name is N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111057213
Molecular FormulaC20H34IN5
Molecular Weight471.43 g/mol
Exact Mass471.19
IUPAC NameN'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1.I
InChIInChI=1S/C20H33N5.HI/c1-2-23-15-17-24(18-16-23)14-11-21-20(25-12-7-4-8-13-25)22-19-9-5-3-6-10-19;/h3,5-6,9-10H,2,4,7-8,11-18H2,1H3,(H,21,22);1H
InChIKeyPLZVEUKDXCXVEO-UHFFFAOYSA-N
XLogP3.20
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 53.20
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956186
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide (CID 111057213) is N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide is CCN1CCN(CC/N=C(\Nc2ccccc2)N2CCCCC2)CC1.I.
What is the InChIKey of N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is PLZVEUKDXCXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5.HI/c1-2-23-15-17-24(18-16-23)14-11-21-20(25-12-7-4-8-13-25)22-19-9-5-3-6-10-19;/h3,5-6,9-10H,2,4,7-8,11-18H2,1H3,(H,21,22);1H.
What are the key properties of N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 471.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111057213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).