1-{2-[(4-chloronaphthalen-1-yl)oxy]ethyl}piperazine

• ChemBase ID: 311866
• Molecular Formular: C16H19ClN2O
• Molecular Mass: 290.78786
• Monoisotopic Mass: 290.11859092
• SMILES: c12c(c(ccc1Cl)OCCN1CCNCC1)cccc2
• Canonical SMILES: Clc1ccc(c2c1cccc2)OCCN1CCNCC1
• InChI: InChI=1S/C16H19ClN2O/c17-15-5-6-16(14-4-2-1-3-13(14)15)20-12-11-19-9-7-18-8-10-19/h1-6,18H,7-12H2
• InChIKey: FMKXSXZVDCUOFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(4-chloronaphthalen-1-yl)oxy]ethyl}piperazine
• IUPAC Traditional name: 1-{2-[(4-chloronaphthalen-1-yl)oxy]ethyl}piperazine
• Synonyms: 1-{2-[(4-chloro-1-naphthyl)oxy]ethyl}piperazine

Database IDs

• CAS Number: 401801-98-7
• MDL Number: MFCD02946799

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.29181275
• LogD (pH = 7.4): 1.0420129
• Log P: 2.891812
• Molar Refractivity: 82.5507 cm^3
• Polarizability: 33.774994 Å^3
• Polar Surface Area: 24.5 Å^2