2-methyl-1-(piperidin-4-yl)-2,3-dihydro-1H-indole dihydrochloride

• ChemBase ID: 259320
• Molecular Formular: C14H22Cl2N2
• Molecular Mass: 289.24388
• Monoisotopic Mass: 288.11600407
• SMILES: N1(C(Cc2c1cccc2)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CC1Cc2c(N1C1CCNCC1)cccc2.Cl.Cl
• InChI: InChI=1S/C14H20N2.2ClH/c1-11-10-12-4-2-3-5-14(12)16(11)13-6-8-15-9-7-13;;/h2-5,11,13,15H,6-10H2,1H3;2*1H
• InChIKey: YITKQSSMDHKLOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(piperidin-4-yl)-2,3-dihydro-1H-indole dihydrochloride
• IUPAC Traditional name: 2-methyl-1-(piperidin-4-yl)-2,3-dihydroindole dihydrochloride
• Synonyms: 2-methyl-1-(piperidin-4-yl)-2,3-dihydro-1H-indole dihydrochloride

Database IDs

• MDL Number: MFCD11858012
• PubChem SID: 164315230
• PubChem CID: 42948934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.038621
• LogD (pH = 7.4): -0.3133665
• Log P: 2.1815114
• Molar Refractivity: 68.3714 cm^3
• Polarizability: 26.221874 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.603

Product Information

• Purity: 95%