2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]morpholine

• ChemBase ID: 862782
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: C(=O)(N1CCN(c2ccc(cc2)OC)CC1)C1OCCNC1
• Canonical SMILES: COc1ccc(cc1)N1CCN(CC1)C(=O)C1OCCNC1
• InChI: InChI=1S/C16H23N3O3/c1-21-14-4-2-13(3-5-14)18-7-9-19(10-8-18)16(20)15-12-17-6-11-22-15/h2-5,15,17H,6-12H2,1H3
• InChIKey: UUOXVVTVBRASAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]morpholine
• IUPAC Traditional name: 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]morpholine
• Synonyms: 2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.9704
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.707008
• LogD (pH = 7.4): 0.0024295363
• Log P: 0.49953872
• Molar Refractivity: 84.2252 cm^3
• Polarizability: 32.541164 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.35
• LOG S: -2.44
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 3