2-(4-phenylpiperidin-1-yl)ethan-1-amine

• ChemBase ID: 306668
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(CCC(CC1)c1ccccc1)CCN
• Canonical SMILES: NCCN1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C13H20N2/c14-8-11-15-9-6-13(7-10-15)12-4-2-1-3-5-12/h1-5,13H,6-11,14H2
• InChIKey: BFKSDLKIKGGPJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylpiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-phenylpiperidin-1-yl)ethanamine
• Synonyms: 2-(4-phenylpiperidin-1-yl)ethanamine

Database IDs

• CAS Number: 41914-43-6
• MDL Number: MFCD09055208

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7845776
• LogD (pH = 7.4): -0.56072295
• Log P: 1.6643748
• Molar Refractivity: 64.7235 cm^3
• Polarizability: 25.52184 Å^3
• Polar Surface Area: 29.26 Å^2

PROPERTIES

Product Information

• Purity: 98%