2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine

C18H24N4 — CID 167284954

IUPAC2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine
SMILESCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)ccc1N
InChIInChI=1S/C18H24N4/c1-20-18-13-15(5-8-17(18)19)14-3-6-16(7-4-14)22-11-9-21(2)10-12-22/h3-8,13,20H,9-12,19H2,1-2H3
InChIKeyHNPLIHSNLHYEFX-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.73
Rot. Bonds3

About 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine

2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine (PubChem CID 167284954) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine
PubChem CID167284954
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine
SMILESCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)ccc1N
InChIInChI=1S/C18H24N4/c1-20-18-13-15(5-8-17(18)19)14-3-6-16(7-4-14)22-11-9-21(2)10-12-22/h3-8,13,20H,9-12,19H2,1-2H3
InChIKeyHNPLIHSNLHYEFX-UHFFFAOYSA-N
XLogP2.73
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 68785076
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517
[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
CID 59473921
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553
2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
CID 91408715
2-(4-methylpiperazin-1-yl)-5-phenylaniline
CID 175786504
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
1-methyl-4-(4-nitrophenyl)piperazine;4-(4-methylpiperazin-1-yl)aniline
CID 69123468
4-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 58160172
5-(4-methylpiperazin-1-yl)-2-methylsulfanylaniline
CID 176669325
6-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 150957046

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine (CID 167284954) is 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine is CNc1cc(-c2ccc(N3CCN(C)CC3)cc2)ccc1N.
What is the InChIKey of 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine?
The InChIKey is HNPLIHSNLHYEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-20-18-13-15(5-8-17(18)19)14-3-6-16(7-4-14)22-11-9-21(2)10-12-22/h3-8,13,20H,9-12,19H2,1-2H3.
What are the key properties of 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine?
2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine has a molecular weight of 296.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 167284954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).