| CAS Number | 675602-64-9 |
| Catalog Number | AG006EU2(AGN-PC-0KKO0T) |
| Chemical Name | 2-PYRROLIDIN-1-YLMETHYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER |
| IUPAC Name | benzyl 2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C18H26N2O2/c21-18(22-15-16-8-2-1-3-9-16)20-13-5-4-10-17(20)14-19-11-6-7-12-19/h1-3,8-9,17H,4-7,10-15H2 |
| InChI Key | SSEKKSJFODDION-UHFFFAOYSA-N |
| MDL Number | MFCD03426439 |
| Molecular Formula | C18H26N2O2 |
| Molecular Weight | 302.4112 |
| SMILES | O=C(OCC1=CC=CC=C1)N1CCCCC1CN1CCCC1 |
| Synonyms | 675602-64-9,
Benzyl 2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxylate,
2-Pyrrolidin-1-ylmethyl-piperidine-1-carboxylic acid benzyl ester,
AC1MC2X2,
CTK5C6329,
DTXSID50375215,
2-Pyrrolidin-1-ylmethyl-piperidine-1-carboxylicacidbenzylester,
MFCD03426439,
AKOS027327753,
AB14950,
AS-41090,
AB0079648,
AX8037233,
X-2009,
S14-2294,
Benzyl 2-[(pyrrolidin-1-yl)methyl]piperidine-1-carboxylate,
CID2760542,
A12825,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.418g/mol |
| Monoisotopic Mass | 302.199g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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