4-{2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]ethyl}morpholine

• ChemBase ID: 617076
• Molecular Formular: C21H30N2O2
• Molecular Mass: 342.4751
• Monoisotopic Mass: 342.23072821
• SMILES: C(=O)(N1C(CCN2CCOCC2)CCCC1)c1cc2c(cc1)CCC2
• Canonical SMILES: O=C(N1CCCCC1CCN1CCOCC1)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C21H30N2O2/c24-21(19-8-7-17-4-3-5-18(17)16-19)23-10-2-1-6-20(23)9-11-22-12-14-25-15-13-22/h7-8,16,20H,1-6,9-15H2
• InChIKey: NTJJVJFYMJEDJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]ethyl}morpholine
• Synonyms: 4-{2-[1-(2,3-dihydro-1H-inden-5-ylcarbonyl)-2-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4417156
• LogD (pH = 7.4): 2.8720703
• Log P: 3.0491607
• Molar Refractivity: 101.5822 cm^3
• Polarizability: 38.81747 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.26
• LOG S: -3.63
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4