4-[3-(pyrrolidine-1-carbonyl)phenoxy]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine

• ChemBase ID: 318414
• Molecular Formular: C26H32N2O2
• Molecular Mass: 404.54448
• Monoisotopic Mass: 404.24637827
• SMILES: C(=O)(N1CCCC1)c1cc(OC2CCN(C3Cc4c(CC3)cccc4)CC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C1CCc2c(C1)cccc2)N1CCCC1
• InChI: InChI=1S/C26H32N2O2/c29-26(28-14-3-4-15-28)22-8-5-9-25(19-22)30-24-12-16-27(17-13-24)23-11-10-20-6-1-2-7-21(20)18-23/h1-2,5-9,19,23-24H,3-4,10-18H2
• InChIKey: DAECFARABJBPLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(pyrrolidine-1-carbonyl)phenoxy]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine
• IUPAC Traditional name: 4-[3-(pyrrolidine-1-carbonyl)phenoxy]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine
• Synonyms: 4-[3-(1-pyrrolidinylcarbonyl)phenoxy]-1-(1,2,3,4-tetrahydro-2-naphthalenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7875035
• LogD (pH = 7.4): 2.2329628
• Log P: 4.103529
• Molar Refractivity: 121.3335 cm^3
• Polarizability: 46.56667 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.8
• LOG S: -5.12
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4