1-(naphthalene-2-carbonyl)piperazine hydrochloride

• ChemBase ID: 254593
• Molecular Formular: C15H17ClN2O
• Molecular Mass: 276.76128
• Monoisotopic Mass: 276.10294085
• SMILES: C(=O)(N1CCNCC1)c1cc2c(cc1)cccc2.Cl
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)N1CCNCC1.Cl
• InChI: InChI=1S/C15H16N2O.ClH/c18-15(17-9-7-16-8-10-17)14-6-5-12-3-1-2-4-13(12)11-14;/h1-6,11,16H,7-10H2;1H
• InChIKey: NLRVRUWOIWQQGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalene-2-carbonyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(naphthalene-2-carbonyl)piperazine hydrochloride
• Synonyms: 1-(2-naphthoyl)piperazine hydrochloride

Database IDs

• MDL Number: MFCD09863320
• PubChem SID: 164310503
• PubChem CID: 43810480

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5492247
• LogD (pH = 7.4): 1.1646656
• Log P: 1.7247866
• Molar Refractivity: 72.1354 cm^3
• Polarizability: 28.876083 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 276 - 278°C
• Hydrophobicity(logP): 1.932

Product Information

• Purity: 95%