Pivalic acid, 2-piperidinoethyl ester, hydrochloride
TL;DR: Pivalic acid, 2-piperidinoethyl ester, hydrochloride (CAS 99450-80-3) is a chemical compound with molecular formula C12H24ClNO2 and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethyl 2,2-dimethylpropanoate;hydrochloride
Also Known As: Pivalic acid, 2-piperidinoethyl ester, hydrochloride, 2-piperidin-1-ylethyl 2,2-dimethylpropanoate hydrochloride, 2-piperidin-1-ylethyl 2,2-dimethylpropanoate,hydrochloride, 2-(Piperidin-1-yl)ethyl 2,2-dimethylpropanoate--hydrogen chloride (1/1), Propanoic acid,2,2-dimethyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
| Molecular Formula | C12H24ClNO2 |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 2.4834 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.14955 |
| Heavy Atoms | 16 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 99450-80-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCCN1CCCCC1.Cl |
| InChIKey | OSPMQAMRQHYBBO-UHFFFAOYSA-N |
Product Overview
Pivalic acid, 2-piperidinoethyl ester, hydrochloride (CAS 99450-80-3), with molecular formula C12H24ClNO2 and molecular weight 249.15 g/mol. IUPAC: 2-piperidin-1-ylethyl 2,2-dimethylpropanoate;hydrochloride.
Chemical Property Profile of Pivalic acid, 2-piperidinoethyl ester, hydrochloride
Property Insights of Pivalic acid, 2-piperidinoethyl ester, hydrochloride
The XLogP value of 2.4834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivalic acid, 2-piperidinoethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, Pivalic acid, 2-piperidinoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pivalic acid, 2-piperidinoethyl ester, hydrochloride 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 Pivalic acid, 2-piperidinoethyl ester, hydrochloride?
The CAS number of Pivalic acid, 2-piperidinoethyl ester, hydrochloride is 99450-80-3.
What is the molecular formula of Pivalic acid, 2-piperidinoethyl ester, hydrochloride?
The molecular formula of Pivalic acid, 2-piperidinoethyl ester, hydrochloride is C12H24ClNO2.
What is the molecular weight of Pivalic acid, 2-piperidinoethyl ester, hydrochloride?
The molecular weight of Pivalic acid, 2-piperidinoethyl ester, hydrochloride is 249.15 g/mol.
Where can I buy Pivalic acid, 2-piperidinoethyl ester, hydrochloride?
You can request a quote for Pivalic acid, 2-piperidinoethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivalic acid, 2-piperidinoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pivalic acid, 2-piperidinoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.