N-(piperidin-3-yl)naphthalene-2-carboxamide hydrochloride

• ChemBase ID: 237238
• Molecular Formular: C16H19ClN2O
• Molecular Mass: 290.78786
• Monoisotopic Mass: 290.11859092
• SMILES: C(=O)(c1cc2c(cc1)cccc2)NC1CNCCC1.Cl
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)NC1CCCNC1.Cl
• InChI: InChI=1S/C16H18N2O.ClH/c19-16(18-15-6-3-9-17-11-15)14-8-7-12-4-1-2-5-13(12)10-14;/h1-2,4-5,7-8,10,15,17H,3,6,9,11H2,(H,18,19);1H
• InChIKey: LBNRQRQBOJYNDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-3-yl)naphthalene-2-carboxamide hydrochloride
• IUPAC Traditional name: N-(piperidin-3-yl)naphthalene-2-carboxamide hydrochloride
• Synonyms: N-(piperidin-3-yl)naphthalene-2-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD22369916
• PubChem SID: 164293148
• PubChem CID: 71755895

CALCULATED PROPERTIES

• Acid pKa: 15.098923
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0374825
• LogD (pH = 7.4): 0.042700242
• Log P: 2.1382
• Molar Refractivity: 76.4189 cm^3
• Polarizability: 30.72306 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223 - 225°C
• Hydrophobicity(logP): 2.47

Product Information

• Purity: 95%