1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine

• ChemBase ID: 345358
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: N1(CC(N(CCc2ncccc2)C)CCC1)Cc1cc(c(cc1)OC)OCC
• Canonical SMILES: CCOc1cc(ccc1OC)CN1CCCC(C1)N(CCc1ccccn1)C
• InChI: InChI=1S/C23H33N3O2/c1-4-28-23-16-19(10-11-22(23)27-3)17-26-14-7-9-21(18-26)25(2)15-12-20-8-5-6-13-24-20/h5-6,8,10-11,13,16,21H,4,7,9,12,14-15,17-18H2,1-3H3
• InChIKey: LKFOEOXSJIMRLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine
• IUPAC Traditional name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine
• Synonyms: 1-(3-ethoxy-4-methoxybenzyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.16515654
• LogD (pH = 7.4): 1.4214759
• Log P: 3.2656024
• Molar Refractivity: 114.1389 cm^3
• Polarizability: 44.73672 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.65
• LOG S: -2.44
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 6