| CAS Number | 1094301-19-5 |
| Catalog Number | AG008ZP2(AGN-PC-06GD7N) |
| Chemical Name | (2-Chloro-pyridin-3-yl)-(4-hydroxymethyl-piperidin-1-yl)-methanone |
| IUPAC Name | (2-chloropyridin-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone |
| InChI | InChI=1S/C12H15ClN2O2/c13-11-10(2-1-5-14-11)12(17)15-6-3-9(8-16)4-7-15/h1-2,5,9,16H,3-4,6-8H2 |
| InChI Key | AZYJAPJMNUQTSL-UHFFFAOYSA-N |
| MDL Number | MFCD11133074 |
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.7127 |
| SMILES | O=C(C1=CC=CN=C1Cl)N2CCC(CO)CC2 |
| Synonyms | 1094301-19-5,
(2-Chloropyridin-3-yl)(4-(hydroxymethyl)piperidin-1-yl)methanone,
(2-Chloro-pyridin-3-yl)-(4-hydroxymethyl-piperidin-1-yl)-methanone,
ZX-AH038168,
ZINC36882943,
AKOS009291094,
AJ-93402,
AK159225,
BC760762,
AX8292588,
CS-0060366,
ST24033875,
F1907-3802,
(2-Chloropyridin-3-yl)-(4-hydroxymethylpiperidin-1-yl)methanone,
(2-chloropyridin-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.714g/mol |
| Monoisotopic Mass | 254.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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