| CAS Number | 851882-87-6 |
| Catalog Number | AG00GA5N(AGN-PC-0OJQ6Q) |
| Chemical Name | (3S)-1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid |
| IUPAC Name | (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C13H14FNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)/t10-/m0/s1 |
| InChI Key | RVLHLMFNCSEIHG-JTQLQIEISA-N |
| MDL Number | MFCD23153390 |
| Molecular Formula | C13H14FNO3 |
| Molecular Weight | 251.2536 |
| SMILES | OC([C@@H]1CN(C(C2=CC=C(F)C=C2)=O)CCC1)=O |
| Synonyms | (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylic acid,
SCHEMBL192998,
RVLHLMFNCSEIHG-JTQLQIEISA-N,
851882-87-6,
ZINC6557378,
AKOS017349926,
1-(4-fluoro-benzoyl)-(S)-piperidine-3-carboxylic acid,
AC1LH8HA,
CID858671,
1-(4-fluorobenzoyl)piperidine-3-carboxylic Acid,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.095771g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.25g/mol |
| Monoisotopic Mass | 251.095771g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number