2-(3-phenylpiperidin-1-yl)ethan-1-amine

• ChemBase ID: 306833
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(CC(c2ccccc2)CCC1)CCN
• Canonical SMILES: NCCN1CCCC(C1)c1ccccc1
• InChI: InChI=1S/C13H20N2/c14-8-10-15-9-4-7-13(11-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
• InChIKey: LDLWTHMIKGPNCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3-phenylpiperidin-1-yl)ethanamine
• Synonyms: 2-(3-phenylpiperidin-1-yl)ethanamine

Database IDs

• CAS Number: 862718-71-6
• MDL Number: MFCD08059770

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8255403
• LogD (pH = 7.4): -0.55881125
• Log P: 1.7423286
• Molar Refractivity: 64.6465 cm^3
• Polarizability: 25.521105 Å^3
• Polar Surface Area: 29.26 Å^2