4-(4-chlorophenoxy)-1-[1-(methoxymethyl)cyclobutanecarbonyl]piperidine

• ChemBase ID: 576069
• Molecular Formular: C18H24ClNO3
• Molecular Mass: 337.84106
• Monoisotopic Mass: 337.14447131
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(Cl)cc1)C1(COC)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCC(CC1)Oc1ccc(cc1)Cl
• InChI: InChI=1S/C18H24ClNO3/c1-22-13-18(9-2-10-18)17(21)20-11-7-16(8-12-20)23-15-5-3-14(19)4-6-15/h3-6,16H,2,7-13H2,1H3
• InChIKey: SUFWPODBURLXMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenoxy)-1-[1-(methoxymethyl)cyclobutanecarbonyl]piperidine
• IUPAC Traditional name: 4-(4-chlorophenoxy)-1-[1-(methoxymethyl)cyclobutanecarbonyl]piperidine
• Synonyms: 4-(4-chlorophenoxy)-1-{[1-(methoxymethyl)cyclobutyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8160536
• LogD (pH = 7.4): 2.816054
• Log P: 2.8160543
• Molar Refractivity: 90.0754 cm^3
• Polarizability: 35.422775 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.18
• LOG S: -4.38
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5