(3R)-1-benzyl-3-chloropiperidine

• ChemBase ID: 802373
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: C1CCN(C[C@@H]1Cl)Cc1ccccc1
• Canonical SMILES: Cl[C@@H]1CCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C12H16ClN/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m1/s1
• InChIKey: CAZPTZSOOQVBMU-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-1-benzyl-3-chloropiperidine
• IUPAC Traditional name: (3R)-1-benzyl-3-chloropiperidine
• Synonyms: (3R)-1-BENZYL-3-CHLOROPIPERIDINE

Database IDs

• CAS Number: 240132-25-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.4695424
• LogD (pH = 7.4): 2.2422955
• Log P: 3.044697
• Molar Refractivity: 61.1552 cm^3
• Polarizability: 23.993902 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%