1-(3-Nitro-benzyl)-piperidin-4-ol
TL;DR: 1-(3-Nitro-benzyl)-piperidin-4-ol (CAS 148729-33-3) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-nitrophenyl)methyl]piperidin-4-ol
Also Known As: 1-(3-nitro-benzyl)-piperidin-4-ol, 1-(3-nitrobenzyl)-4-piperidinol, 1-(3-nitrobenzyl)piperidin-4-ol, SDCCGMLS-0064532.P001, 1-[(3-nitrophenyl)methyl]piperidin-4-ol
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 148729-33-3 |
|---|---|
| SMILES | C1CN(CCC1O)CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | JBMXFSRPVGCDJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Nitro-benzyl)-piperidin-4-ol (CAS 148729-33-3), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 1-[(3-nitrophenyl)methyl]piperidin-4-ol.
Chemical Property Profile of 1-(3-Nitro-benzyl)-piperidin-4-ol
Property Insights of 1-(3-Nitro-benzyl)-piperidin-4-ol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitro-benzyl)-piperidin-4-ol. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitro-benzyl)-piperidin-4-ol. Following Lipinski's Rule of Five, 1-(3-Nitro-benzyl)-piperidin-4-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Nitro-benzyl)-piperidin-4-ol?
The CAS number of 1-(3-Nitro-benzyl)-piperidin-4-ol is 148729-33-3.
What is the molecular formula of 1-(3-Nitro-benzyl)-piperidin-4-ol?
The molecular formula of 1-(3-Nitro-benzyl)-piperidin-4-ol is C12H16N2O3.
What is the molecular weight of 1-(3-Nitro-benzyl)-piperidin-4-ol?
The molecular weight of 1-(3-Nitro-benzyl)-piperidin-4-ol is 236.12 g/mol.
Where can I buy 1-(3-Nitro-benzyl)-piperidin-4-ol?
You can request a quote for 1-(3-Nitro-benzyl)-piperidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitro-benzyl)-piperidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitro-benzyl)-piperidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.