2-[1-(2-phenylethyl)piperidin-4-yl]aniline

• ChemBase ID: 806337
• Molecular Formular: C19H24N2
• Molecular Mass: 280.40726
• Monoisotopic Mass: 280.19394878
• SMILES: C1(CCN(CC1)CCc1ccccc1)c1c(cccc1)N
• Canonical SMILES: Nc1ccccc1C1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C19H24N2/c20-19-9-5-4-8-18(19)17-11-14-21(15-12-17)13-10-16-6-2-1-3-7-16/h1-9,17H,10-15,20H2
• InChIKey: BOQIXJJMWCIXRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2-phenylethyl)piperidin-4-yl]aniline
• IUPAC Traditional name: 2-[1-(2-phenylethyl)piperidin-4-yl]aniline
• Synonyms: 4-(2-AMINOPHENYL)-1-PHENETHYLPIPERIDINE

Database IDs

• CAS Number: 889942-31-8

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.23864257
• LogD (pH = 7.4): 1.4718188
• Log P: 3.645567
• Molar Refractivity: 90.8417 cm^3
• Polarizability: 34.676277 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4

PROPERTIES

Product Information

• Purity: 98%