| CAS Number | 1094638-78-4 |
| Catalog Number | AG019W24 |
| Chemical Name | 4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}benzoic acid |
| IUPAC Name | 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid |
| InChI | InChI=1S/C14H19NO3/c16-10-12-5-7-15(8-6-12)9-11-1-3-13(4-2-11)14(17)18/h1-4,12,16H,5-10H2,(H,17,18) |
| InChI Key | JTDPUECZOFOMOS-UHFFFAOYSA-N |
| MDL Number | MFCD11523770 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | OCC1CCN(CC2=CC=C(C(O)=O)C=C2)CC1 |
| Synonyms | 4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}benzoic acid,
1094638-78-4,
AC1Q7CA5,
SCHEMBL12813692,
CTK8A3121,
ZINC36379608,
AKOS008121980,
MCULE-1087414149,
NE19323,
NCGC00321049-01,
EN300-50239,
AB01315452-02,
Z607822484,
4-([4-(Hydroxymethyl)piperidin-1-yl]methyl)benzoic acid, AldrichCPR,
4-([4-(hydroxymethyl)piperidin-1-yl]methyl)benzoic acid,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number