2-(1-phenylpiperazine-2-carbonyl)-1,2-oxazinane

• ChemBase ID: 496284
• Molecular Formular: C15H21N3O2
• Molecular Mass: 275.34614
• Monoisotopic Mass: 275.16337693
• SMILES: C(=O)(C1N(c2ccccc2)CCNC1)N1OCCCC1
• Canonical SMILES: O=C(C1CNCCN1c1ccccc1)N1CCCCO1
• InChI: InChI=1S/C15H21N3O2/c19-15(18-9-4-5-11-20-18)14-12-16-8-10-17(14)13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
• InChIKey: ORWMVJDPCSYWFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-phenylpiperazine-2-carbonyl)-1,2-oxazinane
• IUPAC Traditional name: 2-(1-phenylpiperazine-2-carbonyl)-1,2-oxazinane
• Synonyms: 2-[(1-phenyl-2-piperazinyl)carbonyl]-1,2-oxazinane

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.300806
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1087054
• LogD (pH = 7.4): 0.6242809
• Log P: 1.4326109
• Molar Refractivity: 77.5787 cm^3
• Polarizability: 30.013329 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.41
• LOG S: -1.57
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2