2-(1-benzylpiperidin-2-yl)ethan-1-amine

• ChemBase ID: 307139
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(Cc2ccccc2)C(CCN)CCCC1
• Canonical SMILES: NCCC1CCCCN1Cc1ccccc1
• InChI: InChI=1S/C14H22N2/c15-10-9-14-8-4-5-11-16(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2
• InChIKey: KDPMGDIOCGIION-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915919-74-3
• MDL Number: MFCD08059850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0375295
• LogD (pH = 7.4): -1.9889855
• Log P: 2.0877516
• Molar Refractivity: 69.2281 cm^3
• Polarizability: 27.447319 Å^3
• Polar Surface Area: 29.26 Å^2