4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)aniline

• ChemBase ID: 44831
• Molecular Formular: C17H28N4
• Molecular Mass: 288.43102
• Monoisotopic Mass: 288.23139692
• SMILES: c1(cc(N2CCN(CC2)C)ccc1N)N1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)c1cc(ccc1N)N1CCN(CC1)C
• InChI: InChI=1S/C17H28N4/c1-14-5-7-21(8-6-14)17-13-15(3-4-16(17)18)20-11-9-19(2)10-12-20/h3-4,13-14H,5-12,18H2,1-2H3
• InChIKey: NSRZBHINVOJEPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)aniline
• IUPAC Traditional name: 4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)aniline
• Synonyms: 4-(4-Methylpiperazino)-2-(4-methylpiperidino)-aniline; 4-(4-methylpiperazino)-2-(4-methylpiperidino)aniline; 4-(4-Methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)aniline

Database IDs

• CAS Number: 1160474-88-3
• MDL Number: MFCD12025950
• PubChem SID: 162049594
• PubChem CID: 45588459

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4431198
• LogD (pH = 7.4): 1.5904827
• Log P: 2.3449123
• Molar Refractivity: 92.3563 cm^3
• Polarizability: 34.086933 Å^3
• Polar Surface Area: 35.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%