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CAS No.: | 221109-26-8 |
---|---|
Name: | 2-Phenyl-3-(4-piperidinyl)-1H-indole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C19H20N2 |
Molecular Weight: | 276.381 |
Synonyms: | Ethisterone; |
Density: | 1.131 g/cm3 |
Boiling Point: | 484.065 °C at 760 mmHg |
Flash Point: | 246.554 °C |
PSA: | 24.06000 |
LogP: | 4.40340 |
2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
3-(Piperidin-4-yl)-2-phenyl-1H-indole
Conditions | Yield |
---|---|
With sodium hydroxide; palladium In methanol; water | 75% |
2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
3-(Piperidin-4-yl)-2-phenyl-1H-indole
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol Heating; | 75% |
piperidin-4-one
3-(Piperidin-4-yl)-2-phenyl-1H-indole
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 78 percent / AcOH; H3PO4 / 100 °C 2: 75 percent / ammonium formate / 10 percent Pd/C / methanol / Heating View Scheme |
2-phenyl-indole
3-(Piperidin-4-yl)-2-phenyl-1H-indole
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 78 percent / AcOH; H3PO4 / 100 °C 2: 75 percent / ammonium formate / 10 percent Pd/C / methanol / Heating View Scheme |
1-phenyl-2-bromoethane
3-(Piperidin-4-yl)-2-phenyl-1H-indole
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide | 91% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 90% |
benzyl bromide
3-(Piperidin-4-yl)-2-phenyl-1H-indole
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 65% |
With potassium carbonate In N,N-dimethyl-formamide | 65% |
3-(Piperidin-4-yl)-2-phenyl-1H-indole
Conditions | Yield |
---|---|
With formaldehyd; sodium cyanoborohydride; acetic acid In methanol; water | 23% |
3-(Piperidin-4-yl)-2-phenyl-1H-indole
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 70% |
3-(Piperidin-4-yl)-2-phenyl-1H-indole
methyl iodide
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 25% |
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The 1H-indole, 2-phenyl-3-(4-piperidinyl)- is an organic compound with the formula C19H20N2. The IUPAC name of this chemical is 2-phenyl-3-piperidin-4-yl-1H-indole. With the CAS registry number 221109-26-8, it is also named as 2-Phenyl-3-(4-piperidinyl)-1H-indole. The product's categories are Pharmacetical; Piperidine Series; Indole Series.
The other characteristics of 1H-indole, 2-phenyl-3-(4-piperidinyl)- can be summarized as: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 87.719 cm3; (14)Molar Volume: 244.394 cm3; (15)Polarizability: 34.774×10-24 cm3; (16)Surface Tension: 47.977 dyne/cm; (17)Flash Point: 246.554 °C; (18)Enthalpy of Vaporization: 74.929 kJ/mol; (19)Boiling Point: 484.065 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C; (21)Rotatable Bond Count: 2; (22)Exact Mass: 276.162649; (23)MonoIsotopic Mass: 276.162649; (24)Topological Polar Surface Area: 27.8; (25)Heavy Atom Count: 21; (26)Complexity: 331.
People can use the following data to convert to the molecule structure.
1. SMILES:n1c(c(c2ccccc12)C3CCNCC3)c4ccccc4
2. InChI:InChI=1/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2
3. InChIKey:FWPAVENSJPMGJO-UHFFFAOYAM
4. Std. InChI:InChI=1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2
5. Std. InChIKey:FWPAVENSJPMGJO-UHFFFAOYSA-N