4-[2-(piperidine-1-carbonyl)phenoxy]-1-{[4-(propan-2-yloxy)phenyl]methyl}piperidine

• ChemBase ID: 547988
• Molecular Formular: C27H36N2O3
• Molecular Mass: 436.58634
• Monoisotopic Mass: 436.27259302
• SMILES: C(=O)(c1c(OC2CCN(Cc3ccc(OC(C)C)cc3)CC2)cccc1)N1CCCCC1
• Canonical SMILES: CC(Oc1ccc(cc1)CN1CCC(CC1)Oc1ccccc1C(=O)N1CCCCC1)C
• InChI: InChI=1S/C27H36N2O3/c1-21(2)31-23-12-10-22(11-13-23)20-28-18-14-24(15-19-28)32-26-9-5-4-8-25(26)27(30)29-16-6-3-7-17-29/h4-5,8-13,21,24H,3,6-7,14-20H2,1-2H3
• InChIKey: BYPJMAQFOPNLAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidine-1-carbonyl)phenoxy]-1-{[4-(propan-2-yloxy)phenyl]methyl}piperidine
• IUPAC Traditional name: 1-[(4-isopropoxyphenyl)methyl]-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• Synonyms: 1-(4-isopropoxybenzyl)-4-[2-(1-piperidinylcarbonyl)phenoxy]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7656603
• LogD (pH = 7.4): 3.5379477
• Log P: 4.330924
• Molar Refractivity: 129.2293 cm^3
• Polarizability: 49.961887 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: 4.62
• LOG S: -5.13
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6