3-(Piperidin-1-ylmethyl)benzoic acid
TL;DR: 3-(Piperidin-1-ylmethyl)benzoic acid (CAS 7596-82-9) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(piperidin-1-ylmethyl)benzoic acid
Also Known As: 3-(piperidin-1-ylmethyl)benzoic acid, 3-[(piperidin-1-yl)methyl]benzoic acid, NCIStruc1_000499, NCIStruc2_000339, 3-(1-Piperidinylmethyl)-benzoic acid
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 7596-82-9 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)C(=O)O |
| InChIKey | UIXWGRXBYZGOQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Piperidin-1-ylmethyl)benzoic acid (CAS 7596-82-9), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 3-(piperidin-1-ylmethyl)benzoic acid.
Chemical Property Profile of 3-(Piperidin-1-ylmethyl)benzoic acid
Property Insights of 3-(Piperidin-1-ylmethyl)benzoic acid
The XLogP value of -0.8 indicates that 3-(Piperidin-1-ylmethyl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(Piperidin-1-ylmethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Piperidin-1-ylmethyl)benzoic acid has 1 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 3-(Piperidin-1-ylmethyl)benzoic acid?
The CAS number of 3-(Piperidin-1-ylmethyl)benzoic acid is 7596-82-9.
What is the molecular formula of 3-(Piperidin-1-ylmethyl)benzoic acid?
The molecular formula of 3-(Piperidin-1-ylmethyl)benzoic acid is C13H17NO2.
What is the molecular weight of 3-(Piperidin-1-ylmethyl)benzoic acid?
The molecular weight of 3-(Piperidin-1-ylmethyl)benzoic acid is 219.13 g/mol.
Where can I buy 3-(Piperidin-1-ylmethyl)benzoic acid?
You can request a quote for 3-(Piperidin-1-ylmethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Piperidin-1-ylmethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Piperidin-1-ylmethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.