6-(piperidin-1-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

• ChemBase ID: 799509
• Molecular Formular: C17H24N2
• Molecular Mass: 256.38586
• Monoisotopic Mass: 256.19394878
• SMILES: C1C2(c3cc(ccc3C1)N1CCCCC1)NCCC2
• Canonical SMILES: C1CCN(CC1)c1ccc2c(c1)C1(CCCN1)CC2
• InChI: InChI=1S/C17H24N2/c1-2-11-19(12-3-1)15-6-5-14-7-9-17(16(14)13-15)8-4-10-18-17/h5-6,13,18H,1-4,7-12H2
• InChIKey: LCTOMKCHKOVBPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-1-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• IUPAC Traditional name: 6-(piperidin-1-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• Synonyms: 6-(piperidin-1-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.07290673
• LogD (pH = 7.4): 0.33046043
• Log P: 3.363795
• Molar Refractivity: 80.888 cm^3
• Polarizability: 31.015896 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%