N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide

C23H34IN5O — CID 110961248

IUPACN-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(NCCOC)cc1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C23H33N5O.HI/c1-3-24-23(26-19-20-9-11-21(12-10-20)25-13-18-29-2)28-16-14-27(15-17-28)22-7-5-4-6-8-22;/h4-12,25H,3,13-19H2,1-2H3,(H,24,26);1H
InChIKeyWGJXBZPAQRCQNC-UHFFFAOYSA-N
MW523.46 g/mol
LogP3.65
Rot. Bonds8

About N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110961248) has the molecular formula C23H34IN5O and a molecular weight of 523.46 g/mol. Its IUPAC name is N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110961248
Molecular FormulaC23H34IN5O
Molecular Weight523.46 g/mol
Exact Mass523.18
IUPAC NameN-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(NCCOC)cc1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C23H33N5O.HI/c1-3-24-23(26-19-20-9-11-21(12-10-20)25-13-18-29-2)28-16-14-27(15-17-28)22-7-5-4-6-8-22;/h4-12,25H,3,13-19H2,1-2H3,(H,24,26);1H
InChIKeyWGJXBZPAQRCQNC-UHFFFAOYSA-N
XLogP3.65
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
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-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111290442
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960789
N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960742
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 110960632
N-(2-methoxyethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961380
N-ethyl-N'-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962082
N-ethyl-N'-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961658
N-ethyl-4-phenyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960640
N-[3-[[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 110961808
N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960785
N-ethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 111546822
N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961404

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide (CID 110961248) is N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccc(NCCOC)cc1)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is WGJXBZPAQRCQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O.HI/c1-3-24-23(26-19-20-9-11-21(12-10-20)25-13-18-29-2)28-16-14-27(15-17-28)22-7-5-4-6-8-22;/h4-12,25H,3,13-19H2,1-2H3,(H,24,26);1H.
What are the key properties of N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 523.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110961248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).