1-[(3-ethoxyphenyl)methyl]-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine

• ChemBase ID: 575346
• Molecular Formular: C26H34N2O3
• Molecular Mass: 422.55976
• Monoisotopic Mass: 422.25694296
• SMILES: C(=O)(c1c(OC2CCN(Cc3cc(OCC)ccc3)CC2)cccc1)N1CCCCC1
• Canonical SMILES: CCOc1cccc(c1)CN1CCC(CC1)Oc1ccccc1C(=O)N1CCCCC1
• InChI: InChI=1S/C26H34N2O3/c1-2-30-23-10-8-9-21(19-23)20-27-17-13-22(14-18-27)31-25-12-5-4-11-24(25)26(29)28-15-6-3-7-16-28/h4-5,8-12,19,22H,2-3,6-7,13-18,20H2,1H3
• InChIKey: UZNTVZFBJQWENJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-ethoxyphenyl)methyl]-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• IUPAC Traditional name: 1-[(3-ethoxyphenyl)methyl]-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• Synonyms: 1-(3-ethoxybenzyl)-4-[2-(1-piperidinylcarbonyl)phenoxy]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3720015
• LogD (pH = 7.4): 3.142957
• Log P: 3.914349
• Molar Refractivity: 124.8105 cm^3
• Polarizability: 48.11848 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.31
• LOG S: -4.66
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5