N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide

C14H22N4 — CID 55064141

IUPACN'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C14H22N4/c1-3-16-14(15)18-9-7-17(8-10-18)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3,(H2,15,16)
InChIKeyPZCBBPFIJCBAIQ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.45
Rot. Bonds2

About N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide

N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide (PubChem CID 55064141) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide
PubChem CID55064141
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C14H22N4/c1-3-16-14(15)18-9-7-17(8-10-18)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3,(H2,15,16)
InChIKeyPZCBBPFIJCBAIQ-UHFFFAOYSA-N
XLogP1.45
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-ethyl-4-phenylpiperazine-1-carboximidamide
CID 55064093
N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide
CID 75511967
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 76915536
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
1-(3-methylphenyl)piperidine;propane
CID 143942273
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide (CID 55064141) is N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide is CC/N=C(\N)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide?
The InChIKey is PZCBBPFIJCBAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-16-14(15)18-9-7-17(8-10-18)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide?
N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 55064141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).