| CAS Number | 1156314-75-8 |
| Catalog Number | AG01A906 |
| Chemical Name | (1-[(5-Methylfuran-2-yl)carbonyl]piperidin-3-yl)methanol |
| IUPAC Name | [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone |
| InChI | InChI=1S/C12H17NO3/c1-9-4-5-11(16-9)12(15)13-6-2-3-10(7-13)8-14/h4-5,10,14H,2-3,6-8H2,1H3 |
| InChI Key | TYULYZKVMPRXBK-UHFFFAOYSA-N |
| MDL Number | MFCD12143786 |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.2683 |
| SMILES | CC1OC(C(N2CC(CO)CCC2)=O)=CC=1 |
| Synonyms | [1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanol,
1156314-75-8,
{1-[(5-methylfuran-2-yl)carbonyl]piperidin-3-yl}methanol,
AC1Q2MNN,
AKOS008978532,
NE18788,
EN300-63876,
(1-[(5-methylfuran-2-yl)carbonyl]piperidin-3-yl)methanol,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.272g/mol |
| Monoisotopic Mass | 223.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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