1-(naphthalen-1-yl)piperazine

• ChemBase ID: 128551
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1cc(c2ccccc2c1)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)c1cccc2c1cccc2
• InChI: InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
• InChIKey: VNICFCQJUVFULD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-1-yl)piperazine
• IUPAC Traditional name: naphthylpiperazine
• Synonyms: Naphthylpiperazine

Database IDs

• CAS Number: 57536-86-4
• PubChem SID: 162222858
• PubChem CID: 1342
• Chemspider ID: 1302
• IUPHAR ligand ID: 3
• Wikipedia Title: Naphthylpiperazine

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

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled