| CAS Number | 856215-36-6 |
| Catalog Number | AG00G71Y(AGN-PC-00UXME) |
| Chemical Name | 1-[[4-(Trifluoromethyl)phenyl]carbonyl]-4-piperidinecarboxylic acid |
| IUPAC Name | 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C14H14F3NO3/c15-14(16,17)11-3-1-9(2-4-11)12(19)18-7-5-10(6-8-18)13(20)21/h1-4,10H,5-8H2,(H,20,21) |
| InChI Key | KWFBUWDESLAMET-UHFFFAOYSA-N |
| MDL Number | MFCD08525736 |
| Molecular Formula | C14H14F3NO3 |
| Molecular Weight | 301.2611 |
| SMILES | O=C(C1CCN(C(C2=CC=C(C(F)(F)F)C=C2)=O)CC1)O |
| Synonyms | 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylic acid,
856215-36-6,
1-(4-(trifluoromethyl)benzoyl)piperidine-4-carboxylic acid,
1-[[4-(Trifluoromethyl)phenyl]carbonyl]-4-piperidinecarboxylic acid,
1-{[4-(Trifluoromethyl)phenyl]carbonyl}-4-piperidinecarboxylic acid,
AC1Q74L4,
SCHEMBL4526323,
CTK7F7000,
KWFBUWDESLAMET-UHFFFAOYSA-N,
ZINC9863994,
AKOS000118066,
MCULE-7223215031,
NE42314,
EN300-26440,
Z85885994,
1-{[4-(trifluoromethyl)phenyl]carbonyl}piperidine-4-carboxylic acid,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.265g/mol |
| Monoisotopic Mass | 301.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number