4-(4-Methyl-1-piperidinyl)benzoic acid
TL;DR: 4-(4-Methyl-1-piperidinyl)benzoic acid (CAS 97096-92-9) 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.
4-(4-methylpiperidin-1-yl)benzoic acid
Also Known As: 4-(4-methylpiperidin-1-yl)benzoic acid, 4-(4-Methyl-piperidin-1-yl)-benzoic acid, 4-(4-methyl-1-piperidinyl)Benzoic acid, Methyl 3-amino-2-methylbenzoate, 4-(4-methylpiperidyl)benzoic acid
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 97096-92-9 |
|---|---|
| SMILES | CC1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
| InChIKey | ZIFMYTNXBNDWLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Methyl-1-piperidinyl)benzoic acid (CAS 97096-92-9), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 4-(4-methylpiperidin-1-yl)benzoic acid.
Chemical Property Profile of 4-(4-Methyl-1-piperidinyl)benzoic acid
Property Insights of 4-(4-Methyl-1-piperidinyl)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methyl-1-piperidinyl)benzoic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 4-(4-Methyl-1-piperidinyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methyl-1-piperidinyl)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 4-(4-Methyl-1-piperidinyl)benzoic acid?
The CAS number of 4-(4-Methyl-1-piperidinyl)benzoic acid is 97096-92-9.
What is the molecular formula of 4-(4-Methyl-1-piperidinyl)benzoic acid?
The molecular formula of 4-(4-Methyl-1-piperidinyl)benzoic acid is C13H17NO2.
What is the molecular weight of 4-(4-Methyl-1-piperidinyl)benzoic acid?
The molecular weight of 4-(4-Methyl-1-piperidinyl)benzoic acid is 219.13 g/mol.
Where can I buy 4-(4-Methyl-1-piperidinyl)benzoic acid?
You can request a quote for 4-(4-Methyl-1-piperidinyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methyl-1-piperidinyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-1-piperidinyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.