| CAS Number | 159874-34-7 |
| Catalog Number | AG00B990(AGN-PC-0Q7SOO) |
| Chemical Name | 4-Isopropylamino-piperidine-1-carboxylic acid benzyl ester |
| IUPAC Name | benzyl 4-(propan-2-ylamino)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H24N2O2/c1-13(2)17-15-8-10-18(11-9-15)16(19)20-12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3 |
| InChI Key | WVCCTTCYYHHOIR-UHFFFAOYSA-N |
| MDL Number | MFCD09953334 |
| Molecular Formula | C16H24N2O2 |
| Molecular Weight | 276.3740 |
| SMILES | CC(C)NC1CCN(CC1)C(=O)OCc2ccccc2 |
| Synonyms | 159874-34-7,
4-Isopropylamino-piperidine-1-carboxylic acid benzyl ester,
Benzyl 4-(isopropylamino)piperidine-1-carboxylate,
SCHEMBL6972358,
DTXSID80633436,
MFCD09953334,
ZINC73652943,
AM100311,
Benzyl 4-[(propan-2-yl)amino]piperidine-1-carboxylate,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.38g/mol |
| Monoisotopic Mass | 276.184g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number