Mol Weight - 173.211
Smiles - CCOC(N(CC1)CCC1O)=O
InChI - QABJNOSERNVHDY-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
| Property Name | Property Value |
| Mol Name | N-Carbethoxy-4-Hydroxy Piperidine |
| Molweight | 173.211 |
| Monoisotopic Mass | 173.105194 |
| Clogp | 0.8115 |
| Clogs | -1.261 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 137.96 |
| Relative Psa | 0.28769 |
| Polar Surface Area | 49.77 |
| Druglikeness | -2.9083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.44334 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 9 |
| Symmetric Atoms | 2 |
| Amides | 1 |
| Smiles | CCOC(N(CC1)CCC1O)=O |
| InChIKey | InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3 |
| InChI | QABJNOSERNVHDY-UHFFFAOYSA-N |
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1 — N-Carbethoxy-4-Hydroxy Piperidine | 2 — N-Carbethoxy-4-Hydroxy Piperidine