4-[2-(3-methoxyphenyl)piperidine-1-carbonyl]morpholine

• ChemBase ID: 574955
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: C(=O)(N1C(c2cc(OC)ccc2)CCCC1)N1CCOCC1
• Canonical SMILES: COc1cccc(c1)C1CCCCN1C(=O)N1CCOCC1
• InChI: InChI=1S/C17H24N2O3/c1-21-15-6-4-5-14(13-15)16-7-2-3-8-19(16)17(20)18-9-11-22-12-10-18/h4-6,13,16H,2-3,7-12H2,1H3
• InChIKey: XRVVVZHXYBKZGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3-methoxyphenyl)piperidine-1-carbonyl]morpholine
• IUPAC Traditional name: 4-[2-(3-methoxyphenyl)piperidine-1-carbonyl]morpholine
• Synonyms: 4-{[2-(3-methoxyphenyl)-1-piperidinyl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7893049
• LogD (pH = 7.4): 1.789305
• Log P: 1.789305
• Molar Refractivity: 84.6919 cm^3
• Polarizability: 32.843163 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.13
• LOG S: -3.24
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 2