1-(naphthalen-1-yl)piperazine dihydrochloride

• ChemBase ID: 73341
• Molecular Formular: C14H18Cl2N2
• Molecular Mass: 285.21212
• Monoisotopic Mass: 284.08470395
• SMILES: N1(c2cccc3c2cccc3)CCNCC1.Cl.Cl
• Canonical SMILES: N1CCN(CC1)c1cccc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C14H16N2.2ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;;/h1-7,15H,8-11H2;2*1H
• InChIKey: ZGMNVJGEEHEXIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-1-yl)piperazine dihydrochloride
• IUPAC Traditional name: naphthylpiperazine dihydrochloride
• Synonyms: 1-(Piperazin-1-yl)naphthalene dihydrochloride; 1-(Naphth-1-yl)piperazine dihydrochloride 97%

Database IDs

• MDL Number: MFCD03540959
• PubChem SID: 162038261
• PubChem CID: 44119130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.46359554
• LogD (pH = 7.4): 1.0621687
• Log P: 2.534838
• Molar Refractivity: 67.6922 cm^3
• Polarizability: 27.261673 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >260°C

Safety Information

• Storage Warning: Corrosive