2-benzyl-2,6-diazaspiro[3.3]heptane

• ChemBase ID: 288999
• Molecular Formular: C12H16N2
• Molecular Mass: 188.26884
• Monoisotopic Mass: 188.13134852
• SMILES: N1(Cc2ccccc2)CC2(CNC2)C1
• Canonical SMILES: N1CC2(C1)CN(C2)Cc1ccccc1
• InChI: InChI=1S/C12H16N2/c1-2-4-11(5-3-1)6-14-9-12(10-14)7-13-8-12/h1-5,13H,6-10H2
• InChIKey: BSGJWDYVBDFDFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-2,6-diazaspiro[3.3]heptane
• IUPAC Traditional name: 2-benzyl-2,6-diazaspiro[3.3]heptane
• Synonyms: 2-Benzyl-2,6-diazaspiro[3.3]heptane

Database IDs

• CAS Number: 1194508-28-5
• PubChem SID: 180674530
• PubChem CID: 46835575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8367333
• LogD (pH = 7.4): -1.5855818
• Log P: 1.0574858
• Molar Refractivity: 57.9766 cm^3
• Polarizability: 23.0105 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%