About (3R,4S)-3-methylpiperidin-4-ol
(3R,4S)-3-methylpiperidin-4-ol (PubChem CID 7446786) has the molecular formula C6H13NO
and a molecular weight of 115.18 g/mol. Its IUPAC name is (3R,4S)-3-methylpiperidin-4-ol.
Molecular Properties
| Compound Name | (3R,4S)-3-methylpiperidin-4-ol |
|---|
| PubChem CID | 7446786 |
|---|
| Molecular Formula | C6H13NO |
|---|
| Molecular Weight | 115.18 g/mol |
|---|
| Exact Mass | 115.10 |
|---|
| IUPAC Name | (3R,4S)-3-methylpiperidin-4-ol |
|---|
| SMILES | C[C@@H]1CNCC[C@@H]1O |
|---|
| InChI | InChI=1S/C6H13NO/c1-5-4-7-3-2-6(5)8/h5-8H,2-4H2,1H3/t5-,6+/m1/s1 |
|---|
| InChIKey | OAQDXXYGSGJMGR-RITPCOANSA-N |
|---|
| XLogP | -0.02 |
|---|
| TPSA | 32.26 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 115.18 |
| LogP ≤ 5 | -0.02 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze (3R,4S)-3-methylpiperidin-4-ol with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (3R,4S)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4S)-3-methylpiperidin-4-ol (CID 7446786) is (3R,4S)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-3-methylpiperidin-4-ol is C[C@@H]1CNCC[C@@H]1O.
What is the InChIKey of (3R,4S)-3-methylpiperidin-4-ol?
The InChIKey is OAQDXXYGSGJMGR-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-4-7-3-2-6(5)8/h5-8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-3-methylpiperidin-4-ol?
(3R,4S)-3-methylpiperidin-4-ol has a molecular weight of 115.18 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methylpiperidin-4-ol is sourced from PubChem (CID 7446786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).