| CAS Number | 954583-87-0 |
| Catalog Number | AG01AGRM |
| Chemical Name | 1-([3-(Aminomethyl)phenyl]methyl)piperidine-3-carboxamide |
| IUPAC Name | 1-[[3-(aminomethyl)phenyl]methyl]piperidine-3-carboxamide |
| InChI | InChI=1S/C14H21N3O/c15-8-11-3-1-4-12(7-11)9-17-6-2-5-13(10-17)14(16)18/h1,3-4,7,13H,2,5-6,8-10,15H2,(H2,16,18) |
| InChI Key | CJOCAKIMIJTCFQ-UHFFFAOYSA-N |
| MDL Number | MFCD09740797 |
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.3360 |
| SMILES | NCC1=CC(CN2CC(C(N)=O)CCC2)=CC=C1 |
| Synonyms | 1-{[3-(aminomethyl)phenyl]methyl}piperidine-3-carboxamide,
954583-87-0,
EN300-72641,
AC1Q53UU,
CTK7E5379,
AKOS000147404,
AKOS022488815,
MCULE-5335039812,
NE30466,
SEL10026309,
Z1266854843,
1-[3-(AMINOMETHYL)BENZYL]PIPERIDINE-3-CARBOXAMIDE,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.342g/mol |
| Monoisotopic Mass | 247.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number