Mol Weight - 256.142
Smiles - OC1(CCNCC1)c(cc1)ccc1Br
InChI - QNLXJYQUWCNYBH-UHFFFAOYSA-N
InChIKey - InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
| Property Name | Property Value |
| Mol Name | 4-(4-Bromophenyl)-4-Hydroxy Piperidine |
| Molweight | 256.142 |
| Monoisotopic Mass | 255.025875 |
| Clogp | 2.2017 |
| Clogs | -2.69 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 161.65 |
| Relative Psa | 0.15193 |
| Polar Surface Area | 32.26 |
| Druglikeness | -0.94599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.44938 |
| Molecular Complexity | 0.626 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 4 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | OC1(CCNCC1)c(cc1)ccc1Br |
| InChIKey | InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2 |
| InChI | QNLXJYQUWCNYBH-UHFFFAOYSA-N |
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1 — 4-(4-Bromophenyl)-4-Hydroxy Piperidine | 2 — 4-(4-Bromophenyl)-4-Hydroxy Piperidine