| CAS Number | 1443118-44-2 |
| Catalog Number | AG01ENN9 |
| Chemical Name | [2-Fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]methanone |
| IUPAC Name | [2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone |
| InChI | InChI=1S/C21H20FNO3/c1-26-18-9-6-15(7-10-18)4-5-16-8-11-19(20(22)13-16)21(25)23-12-2-3-17(24)14-23/h6-11,13,17,24H,2-3,12,14H2,1H3/t17-/m1/s1 |
| InChI Key | QBCRLDPMQHPGIM-QGZVFWFLSA-N |
| MDL Number | MFCD27937770 |
| Molecular Formula | C21H20FNO3 |
| Molecular Weight | 353.3868 |
| SMILES | C(=O)(C1=C(F)C=C(C#CC2=CC=C(OC)C=C2)C=C1)N3C[C@H](O)CCC3 |
| Synonyms | (R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl)(3-hydroxypiperidin-1-yl)methanone,
ML337,
ML 337,
1443118-44-2,
CHEMBL2385886,
ML337,
ML-337,
[2-Fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]methanone,
MLS004580699,
GTPL8765,
BDBM50434976,
ZINC96271026,
AKOS024458448,
NCGC00379242-02,
SMR003388512,
VU0469942-1,
(R)-(2-fluoro-4-((4-methoxyphenyl)ethynyl)phenyl)(3-hydroxypiperidin-1-yl)methanone,
[2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone,
QBCRLDPMQHPGIM-QGZVFWFLSA-N,
|
| Complexity | 546 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.393g/mol |
| Monoisotopic Mass | 353.143g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number