Mol Weight - 172.227
Smiles - CCOC(N(CC1)CCC1N)=O
InChI - GQQQULCEHJQUJT-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
| Property Name | Property Value |
| Mol Name | Ethyl 4-amino-1-piperidinecarboxylate |
| Molweight | 172.227 |
| Monoisotopic Mass | 172.121178 |
| Clogp | 0.4137 |
| Clogs | -1.337 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 140.13 |
| Relative Psa | 0.29872 |
| Polar Surface Area | 55.56 |
| Druglikeness | -3.5349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.43512 |
| 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 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CCOC(N(CC1)CCC1N)=O |
| InChIKey | InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3 |
| InChI | GQQQULCEHJQUJT-UHFFFAOYSA-N |
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1 — Ethyl 4-amino-1-piperidinecarboxylate | 2 — Ethyl 4-amino-1-piperidinecarboxylate