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

• ChemBase ID: 47976
• Molecular Formular: C15H24Cl2N2
• Molecular Mass: 303.27046
• Monoisotopic Mass: 302.13165414
• SMILES: N1(c2c(CCC1)cccc2)CC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)CN1CCCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C15H22N2.2ClH/c1-2-6-15-14(4-1)5-3-11-17(15)12-13-7-9-16-10-8-13;;/h1-2,4,6,13,16H,3,5,7-12H2;2*1H
• InChIKey: ZTVBMQCROILJKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561533
• PubChem SID: 162052739
• PubChem CID: 53408164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0105426
• LogD (pH = 7.4): -0.112389475
• Log P: 2.6701057
• Molar Refractivity: 73.3716 cm^3
• Polarizability: 28.069557 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