Phenol, 3-(1-piperidinylmethyl)-, 1-acetate
TL;DR: Phenol, 3-(1-piperidinylmethyl)-, 1-acetate (CAS 439147-96-3) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(piperidin-1-ylmethyl)phenyl] acetate
Also Known As: [3-(piperidin-1-ylmethyl)phenyl] acetate, 3-[(Piperidin-1-yl)methyl]phenyl acetate, Phenol, 3-(1-piperidinylmethyl)-, 1-acetate
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.14159 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 439147-96-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)CN2CCCCC2 |
| InChIKey | NROKOCZESSJJHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 3-(1-piperidinylmethyl)-, 1-acetate (CAS 439147-96-3), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: [3-(piperidin-1-ylmethyl)phenyl] acetate.
Chemical Property Profile of Phenol, 3-(1-piperidinylmethyl)-, 1-acetate
Property Insights of Phenol, 3-(1-piperidinylmethyl)-, 1-acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-(1-piperidinylmethyl)-, 1-acetate. With a topological polar surface area (TPSA) of 29.5 Ų, Phenol, 3-(1-piperidinylmethyl)-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-(1-piperidinylmethyl)-, 1-acetate has 0 hydrogen bond donor(s) and 3 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 Phenol, 3-(1-piperidinylmethyl)-, 1-acetate?
The CAS number of Phenol, 3-(1-piperidinylmethyl)-, 1-acetate is 439147-96-3.
What is the molecular formula of Phenol, 3-(1-piperidinylmethyl)-, 1-acetate?
The molecular formula of Phenol, 3-(1-piperidinylmethyl)-, 1-acetate is C14H19NO2.
What is the molecular weight of Phenol, 3-(1-piperidinylmethyl)-, 1-acetate?
The molecular weight of Phenol, 3-(1-piperidinylmethyl)-, 1-acetate is 233.14 g/mol.
Where can I buy Phenol, 3-(1-piperidinylmethyl)-, 1-acetate?
You can request a quote for Phenol, 3-(1-piperidinylmethyl)-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(1-piperidinylmethyl)-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(1-piperidinylmethyl)-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.