4-({4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}methyl)quinoline

• ChemBase ID: 746236
• Molecular Formular: C21H29N3O
• Molecular Mass: 339.47446
• Monoisotopic Mass: 339.23106256
• SMILES: N1(C(C2CCN(Cc3c4c(ncc3)cccc4)CC2)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)Cc1ccnc2c1cccc2
• InChI: InChI=1S/C21H29N3O/c1-17(24-12-14-25-15-13-24)18-7-10-23(11-8-18)16-19-6-9-22-21-5-3-2-4-20(19)21/h2-6,9,17-18H,7-8,10-16H2,1H3
• InChIKey: INRXGXNEBAVSSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}methyl)quinoline
• IUPAC Traditional name: 4-({4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}methyl)quinoline
• Synonyms: 4-{[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methyl}quinoline

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): -2.1050569E-4
• Log P: 2.7577786
• Molar Refractivity: 102.2844 cm^3
• Polarizability: 41.393963 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.100971

供应商提供(Chembridge)

• Log P: 2.83
• LOG S: -3.08
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0