1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 55303
• Molecular Formular: C14H22Cl2N2
• Molecular Mass: 289.24388
• Monoisotopic Mass: 288.11600407
• SMILES: c1ccc2c(c1)CC(C2)N1CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)C1Cc2c(C1)cccc2.Cl.Cl
• InChI: InChI=1S/C14H20N2.2ClH/c15-13-5-7-16(8-6-13)14-9-11-3-1-2-4-12(11)10-14;;/h1-4,13-14H,5-10,15H2;2*1H
• InChIKey: OALYLWFYVCGNHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(2,3-Dihydro-1H-inden-2-yl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD13461782
• PubChem SID: 162060066
• PubChem CID: 56773541

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9309223
• LogD (pH = 7.4): -1.897831
• Log P: 1.5141371
• Molar Refractivity: 67.7173 cm^3
• Polarizability: 26.543253 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false