benzyl(methyl)[2-(piperazin-1-yl)ethyl]amine

• ChemBase ID: 270599
• Molecular Formular: C14H23N3
• Molecular Mass: 233.35252
• Monoisotopic Mass: 233.18919775
• SMILES: N1(CCN(Cc2ccccc2)C)CCNCC1
• Canonical SMILES: CN(Cc1ccccc1)CCN1CCNCC1
• InChI: InChI=1S/C14H23N3/c1-16(13-14-5-3-2-4-6-14)11-12-17-9-7-15-8-10-17/h2-6,15H,7-13H2,1H3
• InChIKey: AQKKSXVAGSAHBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)[2-(piperazin-1-yl)ethyl]amine
• IUPAC Traditional name: benzyl(methyl)[2-(piperazin-1-yl)ethyl]amine
• Synonyms: benzyl(methyl)[2-(piperazin-1-yl)ethyl]amine

Database IDs

• MDL Number: MFCD10015229
• PubChem SID: 164326509
• PubChem CID: 28704460

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.838252
• LogD (pH = 7.4): -1.9260645
• Log P: 1.3973588
• Molar Refractivity: 73.3752 cm^3
• Polarizability: 28.964212 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.005

Product Information

• Purity: 95%