N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide

C21H29N5 — CID 111546853

IUPACN-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(C)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H29N5/c1-3-22-21(23-12-11-19-10-9-18(2)24-17-19)26-15-13-25(14-16-26)20-7-5-4-6-8-20/h4-10,17H,3,11-16H2,1-2H3,(H,22,23)
InChIKeyDXRZGAJFPXFDDV-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide

N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide (PubChem CID 111546853) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide
PubChem CID111546853
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(C)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H29N5/c1-3-22-21(23-12-11-19-10-9-18(2)24-17-19)26-15-13-25(14-16-26)20-7-5-4-6-8-20/h4-10,17H,3,11-16H2,1-2H3,(H,22,23)
InChIKeyDXRZGAJFPXFDDV-UHFFFAOYSA-N
XLogP2.72
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.72
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'}

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Related Compounds

N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962086
N-ethyl-4-phenyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960640
N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960785
N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205333
N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961404
N-ethyl-2-(2-methylphenyl)-N'-[2-(6-methyl-3-pyridinyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480481
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
CID 110961655
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960789
N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-phenylpiperazine-1-carboximidamide
CID 110961443
1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 86777561
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774
N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956679

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide (CID 111546853) is N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide is CCN/C(=N\CCc1ccc(C)nc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide?
The InChIKey is DXRZGAJFPXFDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-3-22-21(23-12-11-19-10-9-18(2)24-17-19)26-15-13-25(14-16-26)20-7-5-4-6-8-20/h4-10,17H,3,11-16H2,1-2H3,(H,22,23).
What are the key properties of N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide?
N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide has a molecular weight of 351.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 111546853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).