Mol Weight - 133.621
Smiles - CN(CC1)CCC1Cl
InChI - MYGXGCCFTPKWIH-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
| Property Name | Property Value |
| Mol Name | 4-Chloro-N-methylpiperidine |
| Molweight | 133.621 |
| Monoisotopic Mass | 133.065826 |
| Clogp | 1.2824 |
| Clogs | -1.09 |
| H Acceptors | 1 |
| Total Surface Area | 105.52 |
| Relative Psa | 0.033643 |
| Polar Surface Area | 3.24 |
| Druglikeness | 5.9096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.1481 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CN(CC1)CCC1Cl |
| InChIKey | InChI=1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3 |
| InChI | MYGXGCCFTPKWIH-UHFFFAOYSA-N |
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1 — 4-Chloro-N-methylpiperidine | 2 — 4-Chloro-N-methylpiperidine