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

• ChemBase ID: 55297
• Molecular Formular: C13H20Cl2N2
• Molecular Mass: 275.2173
• Monoisotopic Mass: 274.10035401
• SMILES: c1ccc2c(c1)CC(C2)N1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCN(CC1)C1Cc2c(C1)cccc2.Cl.Cl
• InChI: InChI=1S/C13H18N2.2ClH/c1-2-4-12-10-13(9-11(12)3-1)15-7-5-14-6-8-15;;/h1-4,13-14H,5-10H2;2*1H
• InChIKey: CHXVIAWGVGKXPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 23912-70-1
• MDL Number: MFCD13461781
• PubChem SID: 162060060
• PubChem CID: 50944348

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false