3-{4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl}propan-1-ol

• ChemBase ID: 351412
• Molecular Formular: C18H33N3O3
• Molecular Mass: 339.47292
• Monoisotopic Mass: 339.25219193
• SMILES: C(=O)(C1CN(C2CCN(CC2)CCCO)CCC1)N1CCOCC1
• Canonical SMILES: OCCCN1CCC(CC1)N1CCCC(C1)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H33N3O3/c22-12-2-6-19-8-4-17(5-9-19)21-7-1-3-16(15-21)18(23)20-10-13-24-14-11-20/h16-17,22H,1-15H2
• InChIKey: RFICNSASDCXAFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl}propan-1-ol
• IUPAC Traditional name: 3-{4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl}propan-1-ol
• Synonyms: 3-[3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidin-1'-yl]propan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.933374
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -6.0274515
• LogD (pH = 7.4): -3.677136
• Log P: -0.7622395
• Molar Refractivity: 95.5149 cm^3
• Polarizability: 37.277203 Å^3
• Polar Surface Area: 56.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.05
• LOG S: -3.03
• Polar Surface Area: 56.25 Å^2
• Rotatable Bonds: 5