| CAS Number | 635678-09-0 |
| Catalog Number | AG00F9DU(AGN-PC-0T912S) |
| Chemical Name | Methyl 3-methoxy-4-((1-methylpiperidin-4-yl)methoxy)benzoate |
| IUPAC Name | methyl 3-methoxy-4-[(1-methylpiperidin-4-yl)methoxy]benzoate |
| InChI | InChI=1S/C16H23NO4/c1-17-8-6-12(7-9-17)11-21-14-5-4-13(16(18)20-3)10-15(14)19-2/h4-5,10,12H,6-9,11H2,1-3H3 |
| InChI Key | FSRPHDCRLVCNAS-UHFFFAOYSA-N |
| MDL Number | MFCD18157679 |
| Molecular Formula | C16H23NO4 |
| Molecular Weight | 293.3581 |
| SMILES | O=C(OC)C2(=CC(OC)=C(OCC1(CCN(C)CC1))C=C2) |
| Synonyms | 635678-09-0,
methyl 3-methoxy-4-[(1-methylpiperidin-4-yl)methoxy]benzoate,
Methyl 3-methoxy-4-[(1-methylpiperidin-4-yl)-methoxy]benzoate,
Methyl 3-methoxy-4-((1-methylpiperidin-4-yl)methoxy)benzoate,
methyl 4-((1-methylpiperidin-4-yl)methoxy)-3-methoxybenzoate,
CTK6I9781,
DTXSID70469963,
MFCD18157679,
ZINC35994878,
AKOS015851483,
NE-0027,
RP15875,
KS-000029R3,
methylmethoxymethylpiperidinylmethoxybenzoate,
TR-071809,
J-522191,
CID11645014,
Methyl 3-methoxy-4-[(1-methyl-4-piperidyl)methoxy]benzoate,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.363g/mol |
| Monoisotopic Mass | 293.163g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number