(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine

• ChemBase ID: 68043
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(C[C@@H]([C@@H](CC1)C)NC)Cc1ccccc1
• Canonical SMILES: CN[C@H]1CN(CC[C@H]1C)Cc1ccccc1
• InChI: InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14+/m1/s1
• InChIKey: NVKDDQBZODSEIN-OCCSQVGLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine
• IUPAC Traditional name: (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine
• Synonyms: (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine

Database IDs

• CAS Number: 477600-70-7
• MDL Number: MFCD09475548
• PubChem SID: 162033775
• PubChem CID: 44630604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1664808
• LogD (pH = 7.4): -0.43967414
• Log P: 2.3807766
• Molar Refractivity: 69.0079 cm^3
• Polarizability: 27.44732 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%