4-[3-(3-ethylphenoxy)azetidine-1-carbonyl]-1-(2-methoxyethyl)piperidine

• ChemBase ID: 821170
• Molecular Formular: C20H30N2O3
• Molecular Mass: 346.4638
• Monoisotopic Mass: 346.22564283
• SMILES: N1(C(=O)C2CCN(CC2)CCOC)CC(C1)Oc1cc(ccc1)CC
• Canonical SMILES: COCCN1CCC(CC1)C(=O)N1CC(C1)Oc1cccc(c1)CC
• InChI: InChI=1S/C20H30N2O3/c1-3-16-5-4-6-18(13-16)25-19-14-22(15-19)20(23)17-7-9-21(10-8-17)11-12-24-2/h4-6,13,17,19H,3,7-12,14-15H2,1-2H3
• InChIKey: FVFLFKCTLVVMDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-ethylphenoxy)azetidine-1-carbonyl]-1-(2-methoxyethyl)piperidine
• IUPAC Traditional name: 4-[3-(3-ethylphenoxy)azetidine-1-carbonyl]-1-(2-methoxyethyl)piperidine
• Synonyms: 4-{[3-(3-ethylphenoxy)azetidin-1-yl]carbonyl}-1-(2-methoxyethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6753513
• LogD (pH = 7.4): 1.0312554
• Log P: 2.3469958
• Molar Refractivity: 98.9247 cm^3
• Polarizability: 38.678036 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: 2.34
• LOG S: -3.73
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7