N'-(4-methylpiperazin-1-yl)benzenecarboximidamide

C12H18N4 — CID 83024710

IUPACN'-(4-methylpiperazin-1-yl)benzenecarboximidamide
SMILESCN1CCN(/N=C(\N)c2ccccc2)CC1
InChIInChI=1S/C12H18N4/c1-15-7-9-16(10-8-15)14-12(13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,13,14)
InChIKeyRUCFBIZRCZEDHB-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.55
Rot. Bonds2

About N'-(4-methylpiperazin-1-yl)benzenecarboximidamide

N'-(4-methylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 83024710) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)benzenecarboximidamide
PubChem CID83024710
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN'-(4-methylpiperazin-1-yl)benzenecarboximidamide
SMILESCN1CCN(/N=C(\N)c2ccccc2)CC1
InChIInChI=1S/C12H18N4/c1-15-7-9-16(10-8-15)14-12(13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,13,14)
InChIKeyRUCFBIZRCZEDHB-UHFFFAOYSA-N
XLogP0.55
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.55
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

(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
CID 23459648
benzoic acid;1,4-dimethylpiperazine
CID 166460840
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
CID 23459647
2-(4-methylpiperazin-1-yl)imino-1-phenylethanone;hydrochloride
CID 20981830
1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine
CID 23763981
(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 6901397
1-methyl-4-(3-phenylbut-2-enyl)piperazine
CID 76612314
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
CID 23272403
(E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine
CID 43019174
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-(4-methylpiperazin-1-yl)benzenecarboximidamide (CID 83024710) is N'-(4-methylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)benzenecarboximidamide is CN1CCN(/N=C(\N)c2ccccc2)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is RUCFBIZRCZEDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-15-7-9-16(10-8-15)14-12(13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,13,14).
What are the key properties of N'-(4-methylpiperazin-1-yl)benzenecarboximidamide?
N'-(4-methylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 218.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 83024710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).