9-ethyl-3-{[3-(morpholin-4-yl)piperidin-1-yl]methyl}-9H-carbazole

• ChemBase ID: 587032
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: n1(c2c(c3c1cccc3)cc(CN1CC(N3CCOCC3)CCC1)cc2)CC
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)CN1CCCC(C1)N1CCOCC1
• InChI: InChI=1S/C24H31N3O/c1-2-27-23-8-4-3-7-21(23)22-16-19(9-10-24(22)27)17-25-11-5-6-20(18-25)26-12-14-28-15-13-26/h3-4,7-10,16,20H,2,5-6,11-15,17-18H2,1H3
• InChIKey: FLMSCWWEWBLSPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-3-{[3-(morpholin-4-yl)piperidin-1-yl]methyl}-9H-carbazole
• IUPAC Traditional name: 9-ethyl-3-{[3-(morpholin-4-yl)piperidin-1-yl]methyl}carbazole
• Synonyms: 9-ethyl-3-{[3-(4-morpholinyl)-1-piperidinyl]methyl}-9H-carbazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5300257
• LogD (pH = 7.4): 2.0091083
• Log P: 3.8784752
• Molar Refractivity: 115.965 cm^3
• Polarizability: 47.483315 Å^3
• Polar Surface Area: 20.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.92
• LOG S: -3.12
• Polar Surface Area: 20.64 Å^2
• Rotatable Bonds: 3