| SpectraBase Spectrum ID |
KPrTB8APbr5 |
| Name |
8-(2'-Methylpiperidino)caffeine |
| Alternate Name(s) |
1,3,7-trimethyl-8-(2-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H21N5O2 |
| InChI |
InChI=1S/C14H21N5O2/c1-9-7-5-6-8-19(9)13-15-11-10(16(13)2)12(20)18(4)14(21)17(11)3/h9H,5-8H2,1-4H3 |
| InChIKey |
JPDJSVDLRPEPLP-UHFFFAOYSA-N |
| Molecular Weight |
291.355 g/mol |
| SMILES |
c12c([n](C)c(n2)N2C(C)CCCC2)C(=O)N(C(N1C)=O)C |
| SPLASH |
splash10-0006-0090000000-5d74ab146af9e8ca73b4 |
| Source of Spectrum |
U1-1999-2424-3 |
| Wiley ID |
753720 |
