1-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-(morpholin-4-yl)butan-1-one

• ChemBase ID: 835486
• Molecular Formular: C20H30N2O4
• Molecular Mass: 362.4632
• Monoisotopic Mass: 362.22055745
• SMILES: N1(C(=O)CCCN2CCOCC2)CCC(Oc2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)CCCN1CCOCC1
• InChI: InChI=1S/C20H30N2O4/c1-24-18-5-2-3-6-19(18)26-17-8-11-22(12-9-17)20(23)7-4-10-21-13-15-25-16-14-21/h2-3,5-6,17H,4,7-16H2,1H3
• InChIKey: RDHJMDXLXPCGIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-(morpholin-4-yl)butan-1-one
• IUPAC Traditional name: 1-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-(morpholin-4-yl)butan-1-one
• Synonyms: 4-{4-[4-(2-methoxyphenoxy)-1-piperidinyl]-4-oxobutyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.5879637
• LogD (pH = 7.4): 0.8993318
• Log P: 1.1102757
• Molar Refractivity: 100.6646 cm^3
• Polarizability: 39.440434 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.72
• LOG S: -3.31
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7