| CAS Number | 1198286-07-5 |
| Catalog Number | AG008TUN |
| Chemical Name | 1-(piperidin-4-yl)-1H-indole trifluoroacetate |
| IUPAC Name | 1-piperidin-4-ylindole;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C13H16N2.C2HF3O2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12;3-2(4,5)1(6)7/h1-4,7,10,12,14H,5-6,8-9H2;(H,6,7) |
| InChI Key | QAZQNIMLSCKVIG-UHFFFAOYSA-N |
| MDL Number | MFCD12912602 |
| Molecular Formula | C15H17F3N2O2 |
| Molecular Weight | 314.3029 |
| SMILES | OC(=O)C(F)(F)F.C1CC(CCN1)n1ccc2ccccc12 |
| Synonyms | 1-(Piperidin-4-yl)-1H-indole trifluoroacetate,
1198286-07-5,
1-(PIPERIDIN-4-YL)-1H-INDOLE 2,2,2-TRIFLUOROACETATE,
J-503603,
W-205064,
1-(piperidin-4-yl)indole; trifluoroacetic acid,
DTXSID30678094,
C13H16N2.C2HF3O2,
MFCD12912602,
AKOS015949386,
RP07661,
PC430330,
CS-0037627,
FT-0685006,
Y7218,
1-(piperidin-4-yl)-1H-indoletrifluoroacetate,
Trifluoroacetic acid--1-(piperidin-4-yl)-1H-indole (1/1),
118511-81-2,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.308g/mol |
| Monoisotopic Mass | 314.124g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number