4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide

C24H42N6 — CID 110959693

IUPAC4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCCCN1CCN(CC)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H42N6/c1-3-25-24(26-12-8-9-13-28-16-14-27(4-2)15-17-28)30-20-18-29(19-21-30)22-23-10-6-5-7-11-23/h5-7,10-11H,3-4,8-9,12-22H2,1-2H3,(H,25,26)
InChIKeyGNFDMSLIPJQPPU-UHFFFAOYSA-N
MW414.64 g/mol
LogP2.19
Rot. Bonds9

About 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide

4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide (PubChem CID 110959693) has the molecular formula C24H42N6 and a molecular weight of 414.64 g/mol. Its IUPAC name is 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide
PubChem CID110959693
Molecular FormulaC24H42N6
Molecular Weight414.64 g/mol
Exact Mass414.35
IUPAC Name4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCCCN1CCN(CC)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H42N6/c1-3-25-24(26-12-8-9-13-28-16-14-27(4-2)15-17-28)30-20-18-29(19-21-30)22-23-10-6-5-7-11-23/h5-7,10-11H,3-4,8-9,12-22H2,1-2H3,(H,25,26)
InChIKeyGNFDMSLIPJQPPU-UHFFFAOYSA-N
XLogP2.19
TPSA37.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 52.19
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'}

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Related Compounds

4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 110959850
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956186
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111186292
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263811
N'-[3-(benzenesulfonyl)propyl]-4-benzyl-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110959708
4-benzyl-N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]piperazine-1-carboximidamide;hydroiodide
CID 110960554
methyl 1-[N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111254809
4-benzyl-N-ethyl-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110960578
4-benzyl-N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110960202
N-[2-[[(4-benzylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110960051
2-[[(4-benzylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 110960292
4-benzyl-N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110959650

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide?
The IUPAC name of 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide (CID 110959693) is 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide is CCN/C(=N\CCCCN1CCN(CC)CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide?
The InChIKey is GNFDMSLIPJQPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6/c1-3-25-24(26-12-8-9-13-28-16-14-27(4-2)15-17-28)30-20-18-29(19-21-30)22-23-10-6-5-7-11-23/h5-7,10-11H,3-4,8-9,12-22H2,1-2H3,(H,25,26).
What are the key properties of 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide?
4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide has a molecular weight of 414.64 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110959693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).