1-[2-(piperidin-2-yl)ethyl]-2,3-dihydro-1H-indole dihydrochloride

• ChemBase ID: 48087
• Molecular Formular: C15H24Cl2N2
• Molecular Mass: 303.27046
• Monoisotopic Mass: 302.13165414
• SMILES: N1(c2c(CC1)cccc2)CCC1NCCCC1.Cl.Cl
• Canonical SMILES: C1CCC(NC1)CCN1CCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C15H22N2.2ClH/c1-2-7-15-13(5-1)8-11-17(15)12-9-14-6-3-4-10-16-14;;/h1-2,5,7,14,16H,3-4,6,8-12H2;2*1H
• InChIKey: PGVPYHWZWVODOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(piperidin-2-yl)ethyl]-2,3-dihydro-1H-indole dihydrochloride
• IUPAC Traditional name: 1-[2-(piperidin-2-yl)ethyl]-2,3-dihydroindole dihydrochloride
• Synonyms: 1-[2-(2-Piperidinyl)ethyl]indoline dihydrochloride

Database IDs

• MDL Number: MFCD13561629
• PubChem SID: 162052850
• PubChem CID: 53408235

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5067342
• LogD (pH = 7.4): 0.016550161
• Log P: 2.7268677
• Molar Refractivity: 73.1982 cm^3
• Polarizability: 28.068768 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false