3-(1,2,3,6-tetrahydropyridin-4-yl)quinoline dihydrochloride

• ChemBase ID: 245693
• Molecular Formular: C14H16Cl2N2
• Molecular Mass: 283.19624
• Monoisotopic Mass: 282.06905388
• SMILES: n1cc(C2=CCNCC2)cc2c1cccc2.Cl.Cl
• Canonical SMILES: N1CCC(=CC1)c1cnc2c(c1)cccc2.Cl.Cl
• InChI: InChI=1S/C14H14N2.2ClH/c1-2-4-14-12(3-1)9-13(10-16-14)11-5-7-15-8-6-11;;/h1-5,9-10,15H,6-8H2;2*1H
• InChIKey: MLNNDJXJTJEUQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2,3,6-tetrahydropyridin-4-yl)quinoline dihydrochloride
• IUPAC Traditional name: 3-(1,2,3,6-tetrahydropyridin-4-yl)quinoline dihydrochloride
• Synonyms: 3-(1,2,3,6-tetrahydropyridin-4-yl)quinoline dihydrochloride

Database IDs

• MDL Number: MFCD23144122
• PubChem SID: 164301603
• PubChem CID: 71757772

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0682081
• LogD (pH = 7.4): 0.009422732
• Log P: 2.1250267
• Molar Refractivity: 66.0963 cm^3
• Polarizability: 26.915876 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.126

Product Information

• Purity: 95%