1-[2-(naphthalen-1-yloxy)ethyl]piperazine

• ChemBase ID: 123852
• Molecular Formular: C16H20N2O
• Molecular Mass: 256.3428
• Monoisotopic Mass: 256.15756327
• SMILES: N1(CCOc2c3c(ccc2)cccc3)CCNCC1
• Canonical SMILES: N1CCN(CC1)CCOc1cccc2c1cccc2
• InChI: InChI=1S/C16H20N2O/c1-2-6-15-14(4-1)5-3-7-16(15)19-13-12-18-10-8-17-9-11-18/h1-7,17H,8-13H2
• InChIKey: OHELUTBQEZLZQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(naphthalen-1-yloxy)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(naphthalen-1-yloxy)ethyl]piperazine
• Synonyms: 1-(2-(naphthalen-1-yloxy)ethyl)piperazine; 1-[2-(naphthalen-1-yloxy)ethyl]piperazine

Database IDs

• MDL Number: MFCD07364238
• PubChem SID: 162218205
• PubChem CID: 12197762

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.90463454
• LogD (pH = 7.4): 0.43159825
• Log P: 2.2877674
• Molar Refractivity: 77.7459 cm^3
• Polarizability: 31.977627 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.533

Product Information

• Purity: 95%