6-(4-benzylpiperazin-1-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

• ChemBase ID: 799510
• Molecular Formular: C23H29N3
• Molecular Mass: 347.49646
• Monoisotopic Mass: 347.23614794
• SMILES: C1C2(c3cc(ccc3C1)N1CCN(CC1)Cc1ccccc1)NCCC2
• Canonical SMILES: c1ccc(cc1)CN1CCN(CC1)c1ccc2c(c1)C1(CCCN1)CC2
• InChI: InChI=1S/C23H29N3/c1-2-5-19(6-3-1)18-25-13-15-26(16-14-25)21-8-7-20-9-11-23(22(20)17-21)10-4-12-24-23/h1-3,5-8,17,24H,4,9-16,18H2
• InChIKey: DDNRQVHNCQTDPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-benzylpiperazin-1-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• IUPAC Traditional name: 6-(4-benzylpiperazin-1-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• Synonyms: 6-(4-benzylpiperazin-1-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7713372
• LogD (pH = 7.4): 0.21151882
• Log P: 4.0850215
• Molar Refractivity: 109.4087 cm^3
• Polarizability: 42.16709 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%