| CAS Number | 115655-42-0 |
| Catalog Number | AG000GPC(AGN-PC-0P7Y5J) |
| Chemical Name | 1,4-Piperidinedicarboxylic acid, 4-aMino-, 4-Methyl 1-(phenylMethyl) ester |
| IUPAC Name | 1-O-benzyl 4-O-methyl 4-aminopiperidine-1,4-dicarboxylate |
| InChI | InChI=1S/C15H20N2O4/c1-20-13(18)15(16)7-9-17(10-8-15)14(19)21-11-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3 |
| InChI Key | PLQPYSJTFRDBOT-UHFFFAOYSA-N |
| MDL Number | MFCD17170960 |
| Molecular Formula | C15H20N2O4 |
| Molecular Weight | 292.3303 |
| SMILES | O=C(N1CCC(C(OC)=O)(N)CC1)OCC2=CC=CC=C2 |
| Synonyms | 1-benzyl 4-methyl 4-aminopiperidine-1,4-dicarboxylate,
115655-42-0,
SCHEMBL9657187,
MFCD17170960,
ZINC34316242,
AKOS025289958,
SB22768,
KS-000008M3,
AK171931,
AS-51214,
CS-0052616,
O1-Benzyl O4-methyl 4-aminopiperidine-1,4-dicarboxylate,
1-O-benzyl 4-O-methyl 4-aminopiperidine-1,4-dicarboxylate,
1,4-Piperidinedicarboxylic acid, 4-amino-, 4-methyl 1-(phenylmethyl) ester,
PLQPYSJTFRDBOT-UHFFFAOYSA-N,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.335g/mol |
| Monoisotopic Mass | 292.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number