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

• ChemBase ID: 48003
• Molecular Formular: C14H22Cl2N2
• Molecular Mass: 289.24388
• Monoisotopic Mass: 288.11600407
• SMILES: N1(c2c(CCC1)cccc2)C1CNCCC1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)N1CCCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C14H20N2.2ClH/c1-2-8-14-12(5-1)6-4-10-16(14)13-7-3-9-15-11-13;;/h1-2,5,8,13,15H,3-4,6-7,9-11H2;2*1H
• InChIKey: LAGQNJGGRGBTCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561560
• PubChem SID: 162052766
• PubChem CID: 56831591

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.51830274
• LogD (pH = 7.4): 0.5081184
• Log P: 2.666908
• Molar Refractivity: 68.3328 cm^3
• Polarizability: 26.222933 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false