2-methoxy-4-[(1E)-3-[3-(morpholin-4-yl)piperidin-1-yl]prop-1-en-1-yl]phenol

• ChemBase ID: 615708
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: N1(C2CN(C/C=C/c3cc(c(cc3)O)OC)CCC2)CCOCC1
• Canonical SMILES: COc1cc(/C=C/CN2CCCC(C2)N2CCOCC2)ccc1O
• InChI: InChI=1S/C19H28N2O3/c1-23-19-14-16(6-7-18(19)22)4-2-8-20-9-3-5-17(15-20)21-10-12-24-13-11-21/h2,4,6-7,14,17,22H,3,5,8-13,15H2,1H3/b4-2+
• InChIKey: HCXBNDJLOVAMSM-DUXPYHPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-[(1E)-3-[3-(morpholin-4-yl)piperidin-1-yl]prop-1-en-1-yl]phenol
• IUPAC Traditional name: 2-methoxy-4-[(1E)-3-[3-(morpholin-4-yl)piperidin-1-yl]prop-1-en-1-yl]phenol
• Synonyms: 2-methoxy-4-{(1E)-3-[3-(4-morpholinyl)-1-piperidinyl]-1-propen-1-yl}phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.00956
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6394213
• LogD (pH = 7.4): 1.1392596
• Log P: 2.1518302
• Molar Refractivity: 97.6682 cm^3
• Polarizability: 37.66925 Å^3
• Polar Surface Area: 45.17 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: 1.69
• LOG S: -1.62
• Polar Surface Area: 45.17 Å^2
• Rotatable Bonds: 4