4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]morpholine

• ChemBase ID: 662521
• Molecular Formular: C15H23N3O
• Molecular Mass: 261.36262
• Monoisotopic Mass: 261.18411237
• SMILES: N1(CC(N2CCOCC2)CCC1)Cc1ccncc1
• Canonical SMILES: O1CCN(CC1)C1CCCN(C1)Cc1ccncc1
• InChI: InChI=1S/C15H23N3O/c1-2-15(18-8-10-19-11-9-18)13-17(7-1)12-14-3-5-16-6-4-14/h3-6,15H,1-2,7-13H2
• InChIKey: IBWWFKBVXHQMHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]morpholine
• IUPAC Traditional name: 4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]morpholine
• Synonyms: 4-[1-(4-pyridinylmethyl)-3-piperidinyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.035657
• LogD (pH = 7.4): -0.28032577
• Log P: 0.9626788
• Molar Refractivity: 76.7486 cm^3
• Polarizability: 30.132824 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.05
• LOG S: 0.77
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3