N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide

C19H31FN6 — CID 111057246

IUPACN'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCCN1CCN(CC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H31FN6/c1-2-23-9-11-24(12-10-23)8-7-22-19(21)26-15-13-25(14-16-26)18-5-3-17(20)4-6-18/h3-6H,2,7-16H2,1H3,(H2,21,22)
InChIKeyWJDJKAUQBOIPPB-UHFFFAOYSA-N
MW362.50 g/mol
LogP0.90
Rot. Bonds5

About N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide

N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide (PubChem CID 111057246) has the molecular formula C19H31FN6 and a molecular weight of 362.50 g/mol. Its IUPAC name is N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
PubChem CID111057246
Molecular FormulaC19H31FN6
Molecular Weight362.50 g/mol
Exact Mass362.26
IUPAC NameN'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCCN1CCN(CC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H31FN6/c1-2-23-9-11-24(12-10-23)8-7-22-19(21)26-15-13-25(14-16-26)18-5-3-17(20)4-6-18/h3-6H,2,7-16H2,1H3,(H2,21,22)
InChIKeyWJDJKAUQBOIPPB-UHFFFAOYSA-N
XLogP0.90
TPSA51.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111062038
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111075047
4-(4-fluorophenyl)-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111077564
4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
CID 111813721
N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111821827
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide (CID 111057246) is N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide is CCN1CCN(CC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The InChIKey is WJDJKAUQBOIPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN6/c1-2-23-9-11-24(12-10-23)8-7-22-19(21)26-15-13-25(14-16-26)18-5-3-17(20)4-6-18/h3-6H,2,7-16H2,1H3,(H2,21,22).
What are the key properties of N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide has a molecular weight of 362.50 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111057246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).