Basic Information | Post buying leads | Suppliers |
Name |
1-[4-(1H-Indol-3-yl)piperidino]ethan-1-one |
EINECS | N/A |
CAS No. | 30030-83-2 | Density | 1.179g/cm3 |
PSA | 36.10000 | LogP | 2.83170 |
Solubility | N/A | Melting Point |
174 °C |
Formula | C15H18N2O | Boiling Point | 476 °C at 760 mmHg |
Molecular Weight | 242.32 | Flash Point | 241.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Piperidine,1-acetyl-4-(1H-indol-3-yl)- (9CI);Piperidine, 1-acetyl-4-indol-3-yl- (8CI);1-[4-(1H-Indol-3-yl)piperidin-1-yl]ethanone; |
The 1-[4-(1H-Indol-3-yl)piperidino]ethan-1-one, with CAS registry number 30030-83-2, has the systematic name of 3-(1-acetylpiperidin-4-yl)-1H-indole. Besides this, it is also called ethanone, 1-[4-(1H-indol-3-yl)-1-piperidinyl]-. And the chemical formula of this chemical is C15H18N2O.
Physical properties of 1-[4-(1H-Indol-3-yl)piperidino]ethan-1-one: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.51; (6)ACD/BCF (pH 7.4): 27.51; (7)ACD/KOC (pH 5.5): 373.22; (8)ACD/KOC (pH 7.4): 373.23; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 72.55 cm3; (15)Molar Volume: 205.3 cm3; (16)Polarizability: 28.76×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Enthalpy of Vaporization: 73.96 kJ/mol; (19)Vapour Pressure: 3.16E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N3CCC(c2c1ccccc1nc2)CC3)C
(2)InChI: InChI=1/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
(3)InChIKey: PRFIVCWVSORYRV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
(5)Std. InChIKey: PRFIVCWVSORYRV-UHFFFAOYSA-N