1-(2,3-dihydro-1H-inden-2-yl)piperazine

• ChemBase ID: 273750
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: C1(N2CCNCC2)Cc2c(C1)cccc2
• Canonical SMILES: N1CCN(CC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C13H18N2/c1-2-4-12-10-13(9-11(12)3-1)15-7-5-14-6-8-15/h1-4,13-14H,5-10H2
• InChIKey: KZTQJRQEVNIIDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)piperazine
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)piperazine
• Synonyms: 1-(2,3-dihydro-1H-inden-2-yl)piperazine

Database IDs

• CAS Number: 23912-70-1
• MDL Number: MFCD12825018
• PubChem SID: 164329660
• PubChem CID: 22648168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5289472
• LogD (pH = 7.4): -0.36977428
• Log P: 1.767031
• Molar Refractivity: 63.0909 cm^3
• Polarizability: 24.696543 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.484

Product Information

• Purity: 95%