1-(piperidin-4-yl)-1,2,3,4-tetrahydroquinoline dihydrochloride

• ChemBase ID: 48030
• Molecular Formular: C14H22Cl2N2
• Molecular Mass: 289.24388
• Monoisotopic Mass: 288.11600407
• SMILES: N1(c2c(CCC1)cccc2)C1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)N1CCCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C14H20N2.2ClH/c1-2-6-14-12(4-1)5-3-11-16(14)13-7-9-15-10-8-13;;/h1-2,4,6,13,15H,3,5,7-11H2;2*1H
• InChIKey: OLHTYTPPIKJKAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)-1,2,3,4-tetrahydroquinoline dihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)-3,4-dihydro-2H-quinoline dihydrochloride
• Synonyms: 1-(4-Piperidinyl)-1,2,3,4-tetrahydroquinoline dihydrochloride; 1-(piperidin-4-yl)-1,2,3,4-tetrahydroquinoline dihydrochloride

Database IDs

• MDL Number: MFCD12197346
• PubChem SID: 162052793
• PubChem CID: 42948937

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0260311
• LogD (pH = 7.4): -0.28558752
• Log P: 2.209505
• Molar Refractivity: 68.5536 cm^3
• Polarizability: 26.222986 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.493

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%