[2-(4-benzylpiperazin-1-yl)ethyl](methyl)amine

• ChemBase ID: 802343
• Molecular Formular: C14H23N3
• Molecular Mass: 233.35252
• Monoisotopic Mass: 233.18919775
• SMILES: C(CN1CCN(CC1)Cc1ccccc1)NC
• Canonical SMILES: CNCCN1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C14H23N3/c1-15-7-8-16-9-11-17(12-10-16)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
• InChIKey: OHXXFNDRWMGSGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-benzylpiperazin-1-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(4-benzylpiperazin-1-yl)ethyl](methyl)amine
• Synonyms: 2-(4-BENZYLPIPERAZIN-1-YL)-N-METHYLETHANAMINE

Database IDs

• CAS Number: 131502-30-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4372883
• LogD (pH = 7.4): -1.9078103
• Log P: 1.3973588
• Molar Refractivity: 73.3752 cm^3
• Polarizability: 28.96421 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%