(1-{4-Nitrobenzyl}-3-piperidinyl)methanol
TL;DR: (1-{4-Nitrobenzyl}-3-piperidinyl)methanol (CAS 353777-47-6) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(4-nitrophenyl)methyl]piperidin-3-yl]methanol
Also Known As: (1-{4-nitrobenzyl}-3-piperidinyl)methanol, [1-[(4-nitrophenyl)methyl]piperidin-3-yl]methanol, {1-[(4-Nitrophenyl)methyl]piperidin-3-yl}, AB00081978-01, [1-[(4-nitrophenyl)methyl]-3-piperidyl]methanol
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.7991 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 405.2023 |
Chemical Identifiers
| CAS Number | 353777-47-6 |
|---|---|
| SMILES | C1CC(CN(C1)CC2=CC=C(C=C2)[N+](=O)[O-])CO |
Product Overview
(1-{4-Nitrobenzyl}-3-piperidinyl)methanol (CAS 353777-47-6), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: [1-[(4-nitrophenyl)methyl]piperidin-3-yl]methanol.
Chemical Property Profile of (1-{4-Nitrobenzyl}-3-piperidinyl)methanol
Property Insights of (1-{4-Nitrobenzyl}-3-piperidinyl)methanol
The XLogP value of 1.7991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-{4-Nitrobenzyl}-3-piperidinyl)methanol. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-{4-Nitrobenzyl}-3-piperidinyl)methanol. Following Lipinski's Rule of Five, (1-{4-Nitrobenzyl}-3-piperidinyl)methanol 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-{4-Nitrobenzyl}-3-piperidinyl)methanol?
The CAS number of (1-{4-Nitrobenzyl}-3-piperidinyl)methanol is 353777-47-6.
What is the molecular formula of (1-{4-Nitrobenzyl}-3-piperidinyl)methanol?
The molecular formula of (1-{4-Nitrobenzyl}-3-piperidinyl)methanol is C13H18N2O3.
What is the molecular weight of (1-{4-Nitrobenzyl}-3-piperidinyl)methanol?
The molecular weight of (1-{4-Nitrobenzyl}-3-piperidinyl)methanol is 250.13 g/mol.
Where can I buy (1-{4-Nitrobenzyl}-3-piperidinyl)methanol?
You can request a quote for (1-{4-Nitrobenzyl}-3-piperidinyl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-{4-Nitrobenzyl}-3-piperidinyl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (1-{4-Nitrobenzyl}-3-piperidinyl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.