4-(4-chlorophenoxy)-1-(furan-3-carbonyl)piperidine

• ChemBase ID: 778448
• Molecular Formular: C16H16ClNO3
• Molecular Mass: 305.75614
• Monoisotopic Mass: 305.08187106
• SMILES: C(=O)(c1cocc1)N1CCC(CC1)Oc1ccc(Cl)cc1
• Canonical SMILES: Clc1ccc(cc1)OC1CCN(CC1)C(=O)c1cocc1
• InChI: InChI=1S/C16H16ClNO3/c17-13-1-3-14(4-2-13)21-15-5-8-18(9-6-15)16(19)12-7-10-20-11-12/h1-4,7,10-11,15H,5-6,8-9H2
• InChIKey: OQSXZQOPRKRKKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenoxy)-1-(furan-3-carbonyl)piperidine
• IUPAC Traditional name: 4-(4-chlorophenoxy)-1-(furan-3-carbonyl)piperidine
• Synonyms: 4-(4-chlorophenoxy)-1-(3-furoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6677396
• LogD (pH = 7.4): 2.6677396
• Log P: 2.6677396
• Molar Refractivity: 80.2322 cm^3
• Polarizability: 30.676971 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.11
• LOG S: -4.09
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3