2-(6-methoxynaphthalen-2-yl)piperazine

• ChemBase ID: 66294
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: N1C(CNCC1)c1cc2c(cc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1CNCCN1
• InChI: InChI=1S/C15H18N2O/c1-18-14-5-4-11-8-13(3-2-12(11)9-14)15-10-16-6-7-17-15/h2-5,8-9,15-17H,6-7,10H2,1H3
• InChIKey: SYUWRDAXXXDWND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)piperazine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)piperazine
• Synonyms: 2-(6-Methoxynaphthalen-2-yl)piperazine

Database IDs

• CAS Number: 914348-90-6
• MDL Number: MFCD05864688
• PubChem SID: 162032032
• PubChem CID: 45036832

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2444535
• LogD (pH = 7.4): 0.22387384
• Log P: 1.8872389
• Molar Refractivity: 72.645 cm^3
• Polarizability: 30.12139 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%