(4-Methyl-piperidin-1-yl)-acetic acid, methyl ester
TL;DR: (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester (CAS 680597-31-3) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylpiperidin-1-yl)acetate
Also Known As: methyl 2-(4-methylpiperidyl)acetate, methyl 2-(4-methylpiperidin-1-yl)acetate, (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 0.8913 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 150.60753 |
Chemical Identifiers
| CAS Number | 680597-31-3 |
|---|---|
| SMILES | CC1CCN(CC1)CC(=O)OC |
Product Overview
(4-Methyl-piperidin-1-yl)-acetic acid, methyl ester (CAS 680597-31-3), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: methyl 2-(4-methylpiperidin-1-yl)acetate.
Chemical Property Profile of (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester
Property Insights of (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester
The XLogP value of 0.8913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester 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 (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester?
The CAS number of (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester is 680597-31-3.
What is the molecular formula of (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester?
The molecular formula of (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester is C9H17NO2.
What is the molecular weight of (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester?
The molecular weight of (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester is 171.13 g/mol.
Where can I buy (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester?
You can request a quote for (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.