1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one

• ChemBase ID: 650087
• Molecular Formular: C15H28N2O3
• Molecular Mass: 284.39442
• Monoisotopic Mass: 284.20999277
• SMILES: C1(C(=O)N(CC(C)(C)C)CCC1)(CN1CCOCC1)O
• Canonical SMILES: O=C1N(CCCC1(O)CN1CCOCC1)CC(C)(C)C
• InChI: InChI=1S/C15H28N2O3/c1-14(2,3)11-17-6-4-5-15(19,13(17)18)12-16-7-9-20-10-8-16/h19H,4-12H2,1-3H3
• InChIKey: RGPMILKHGLSYOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
• IUPAC Traditional name: 1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
• Synonyms: 1-(2,2-dimethylpropyl)-3-hydroxy-3-(4-morpholinylmethyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.442331
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0336717
• LogD (pH = 7.4): 0.48373
• Log P: 0.7159755
• Molar Refractivity: 78.4484 cm^3
• Polarizability: 30.957794 Å^3
• Polar Surface Area: 53.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.88
• LOG S: -0.57
• Polar Surface Area: 53.01 Å^2
• Rotatable Bonds: 4