1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride

• ChemBase ID: 246725
• Molecular Formular: C14H17ClN2
• Molecular Mass: 248.75118
• Monoisotopic Mass: 248.10802623
• SMILES: c1(cn(c2c1cccc2)C)C1=CCNCC1.Cl
• Canonical SMILES: Cn1cc(c2c1cccc2)C1=CCNCC1.Cl
• InChI: InChI=1S/C14H16N2.ClH/c1-16-10-13(11-6-8-15-9-7-11)12-4-2-3-5-14(12)16;/h2-6,10,15H,7-9H2,1H3;1H
• InChIKey: FLFQNTFRUCOHTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride
• IUPAC Traditional name: 1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole hydrochloride
• Synonyms: 1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride

Database IDs

• PubChem SID: 164302635
• PubChem CID: 71758059

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8901564
• LogD (pH = 7.4): 0.165629
• Log P: 2.2898102
• Molar Refractivity: 68.1582 cm^3
• Polarizability: 27.25869 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): 2.695

Product Information

• Purity: 95%