2-(naphthalen-1-yl)piperazine

• ChemBase ID: 66465
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: N1C(CNCC1)c1cccc2ccccc12
• Canonical SMILES: C1CNC(CN1)c1cccc2c1cccc2
• InChI: InChI=1S/C14H16N2/c1-2-6-12-11(4-1)5-3-7-13(12)14-10-15-8-9-16-14/h1-7,14-16H,8-10H2
• InChIKey: HACZVIMLSOTUBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)piperazine
• IUPAC Traditional name: 2-(naphthalen-1-yl)piperazine
• Synonyms: 2-Naphthalen-1-yl-piperazine

Database IDs

• CAS Number: 910444-80-3
• MDL Number: MFCD06797784
• PubChem SID: 162032203
• PubChem CID: 45036861

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1647673
• LogD (pH = 7.4): 0.21593024
• Log P: 2.0449102
• Molar Refractivity: 66.1818 cm^3
• Polarizability: 27.678034 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%