1-[2-(piperidin-4-yl)ethyl]-2,3-dihydro-1H-indole dihydrochloride

• ChemBase ID: 48144
• Molecular Formular: C15H24Cl2N2
• Molecular Mass: 303.27046
• Monoisotopic Mass: 302.13165414
• SMILES: N1(c2c(CC1)cccc2)CCC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)CCN1CCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C15H22N2.2ClH/c1-2-4-15-14(3-1)8-12-17(15)11-7-13-5-9-16-10-6-13;;/h1-4,13,16H,5-12H2;2*1H
• InChIKey: XRVBULBUQCBTNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(piperidin-4-yl)ethyl]-2,3-dihydro-1H-indole dihydrochloride
• IUPAC Traditional name: 1-[2-(piperidin-4-yl)ethyl]-2,3-dihydroindole dihydrochloride
• Synonyms: 1-[2-(4-Piperidinyl)ethyl]indoline dihydrochloride

Database IDs

• MDL Number: MFCD13561684
• PubChem SID: 162052907
• PubChem CID: 53408244

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7130037
• LogD (pH = 7.4): -0.18408543
• Log P: 2.592152
• Molar Refractivity: 73.4486 cm^3
• Polarizability: 28.06877 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