N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide

C14H22N4 — CID 144761059

IUPACN'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
SMILESC/N=C(\N)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4/c1-16-14(15)13-5-3-12(4-6-13)11-18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H2,15,16)
InChIKeyFNMRWQGNVZHVJB-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.77
Rot. Bonds3

About N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide

N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide (PubChem CID 144761059) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
PubChem CID144761059
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
SMILESC/N=C(\N)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4/c1-16-14(15)13-5-3-12(4-6-13)11-18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H2,15,16)
InChIKeyFNMRWQGNVZHVJB-UHFFFAOYSA-N
XLogP0.77
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.77
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

ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 145147201
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 102666772
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide (CID 144761059) is N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide is C/N=C(\N)c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is FNMRWQGNVZHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-16-14(15)13-5-3-12(4-6-13)11-18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H2,15,16).
What are the key properties of N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide?
N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 246.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 144761059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).