Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride
TL;DR: Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride (CAS 53955-04-7) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-phenylacetate;hydrochloride
Also Known As: Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride, (1-methylpiperidin-4-yl) 2-phenylacetate;hydrochloride, (1-methylpiperidin-4-yl) 2-phenylacetate hydrochloride, (1-methyl-4-piperidyl) 2-phenylacetate Hydrochloride, (1-methylpiperidin-4-yl) 2-phenylacetate,hydrochloride
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.2883 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 361.31656 |
Chemical Identifiers
| CAS Number | 53955-04-7 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)CC2=CC=CC=C2.Cl |
Product Overview
Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride (CAS 53955-04-7), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-phenylacetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride
Property Insights of Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride
The XLogP value of 2.2883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride. With a topological polar surface area (TPSA) of 29.54 Ų, Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride 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 Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride?
The CAS number of Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride is 53955-04-7.
What is the molecular formula of Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride?
The molecular formula of Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride is C14H20ClNO2.
What is the molecular weight of Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride?
The molecular weight of Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride is 269.12 g/mol.
Where can I buy Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride?
You can request a quote for Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 1-methyl-4-piperidinyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.