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

• ChemBase ID: 48202
• Molecular Formular: C15H24Cl2N2
• Molecular Mass: 303.27046
• Monoisotopic Mass: 302.13165414
• SMILES: N1(c2c(CCC1)cccc2)CC1NCCCC1.Cl.Cl
• Canonical SMILES: C1CCC(NC1)CN1CCCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C15H22N2.2ClH/c1-2-9-15-13(6-1)7-5-11-17(15)12-14-8-3-4-10-16-14;;/h1-2,6,9,14,16H,3-5,7-8,10-12H2;2*1H
• InChIKey: HGRJIGZUOYHOMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561742
• PubChem SID: 162052965
• PubChem CID: 53407947

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.08432794
• LogD (pH = 7.4): 0.86837566
• Log P: 3.1114767
• Molar Refractivity: 72.9338 cm^3
• Polarizability: 28.0695 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false