| CAS Number | 887344-17-4 |
| Catalog Number | AG00GS96(AGN-PC-0WBOE0) |
| Chemical Name | 1-[(tert-butyl)oxycarbonyl]-3-Pyridin-2-ylmethylpiperidine-3-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C17H24N2O4/c1-16(2,3)23-15(22)19-10-6-8-17(12-19,14(20)21)11-13-7-4-5-9-18-13/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,20,21) |
| InChI Key | QLRFGRWPXIPAGX-UHFFFAOYSA-N |
| MDL Number | MFCD03840044 |
| Molecular Formula | C17H24N2O4 |
| Molecular Weight | 320.3835 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(CC2=NC=CC=C2)(C1)C(O)=O |
| Synonyms | 1-[(tert-butyl)oxycarbonyl]-3-Pyridin-2-ylmethylpiperidine-3-carboxylic acid,
887344-17-4,
1-(tert-butoxycarbonyl)-3-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid,
AC1MQLME,
CTK7G3013,
DTXSID00392619,
ZX-AT029483,
4646AH,
AR1274,
MFCD03840044,
3-Pyridin-2-ylmethyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester,
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-2-ylmethyl)piperidine-3-carboxylic Acid,
33NA-P02-01,
AS-45075,
P57015,
X-3100,
1-Boc-3-pyridin-2-ylmethyl-piperidine-3-carboxylic acid,
1-Boc-3-pyridin-2-ylmethylpiperidine-3-carboxylic acid,
C17H24N2O4,
CID3453740,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.389g/mol |
| Monoisotopic Mass | 320.174g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number