1-methyl-N-(naphthalen-1-yl)piperidin-4-amine

• ChemBase ID: 259342
• Molecular Formular: C16H20N2
• Molecular Mass: 240.3434
• Monoisotopic Mass: 240.16264865
• SMILES: c1(NC2CCN(CC2)C)c2c(ccc1)cccc2
• Canonical SMILES: CN1CCC(CC1)Nc1cccc2c1cccc2
• InChI: InChI=1S/C16H20N2/c1-18-11-9-14(10-12-18)17-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17H,9-12H2,1H3
• InChIKey: LDXQYDIVZWWYQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-(naphthalen-1-yl)piperidin-4-amine
• IUPAC Traditional name: 1-methyl-N-(naphthalen-1-yl)piperidin-4-amine
• Synonyms: 1-methyl-N-(naphthalen-1-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD11141018
• PubChem SID: 164315252
• PubChem CID: 28437265

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.72191447
• LogD (pH = 7.4): 0.88839144
• Log P: 2.4623067
• Molar Refractivity: 78.1531 cm^3
• Polarizability: 30.955399 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 2.873

Product Information

• Purity: 95%