| CAS Number | 1023471-40-0 |
| Catalog Number | AG01BHP9 |
| Chemical Name | 2-(4-amino-1-benzylpiperidin-4-yl)acetic acid |
| IUPAC Name | 2-(4-amino-1-benzylpiperidin-4-yl)acetic acid |
| InChI | InChI=1S/C14H20N2O2/c15-14(10-13(17)18)6-8-16(9-7-14)11-12-4-2-1-3-5-12/h1-5H,6-11,15H2,(H,17,18) |
| InChI Key | PXJMSJNGOCHGJS-UHFFFAOYSA-N |
| MDL Number | MFCD11847081 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | NC1(CCN(CC2=CC=CC=C2)CC1)CC(O)=O |
| Synonyms | 2-(4-amino-1-benzylpiperidin-4-yl)acetic acid,
1023471-40-0,
(4-amino-1-benzylpiperidin-4-yl)acetic acid,
AC1N1TIU,
BBL036857,
STL410470,
ZINC96896432,
AKOS022981325,
MCULE-3687962243,
SC-32352,
Z1973465484,
CID4010817,
2-(4-amino-1-benzyl-4-piperidyl)acetic Acid,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number