(3S)-3-phenylpiperidine

• ChemBase ID: 801002
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1CCNC[C@@H]1c1ccccc1
• Canonical SMILES: C1CC[C@H](CN1)c1ccccc1
• InChI: InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2/t11-/m1/s1
• InChIKey: NZYBILDYPCVNMU-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-phenylpiperidine
• IUPAC Traditional name: (3S)-3-phenylpiperidine
• Synonyms: (S)-3-Phenyl-piperidine

Database IDs

• CAS Number: 59349-71-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0659345
• LogD (pH = 7.4): -0.41349286
• Log P: 2.1562645
• Molar Refractivity: 51.402 cm^3
• Polarizability: 20.311394 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%