2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
TL;DR: 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 67114-22-1) is a chemical compound with molecular formula C18H28ClNO2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride
Also Known As: BENZOIC ACID, 2,2-DIMETHYL-3-(4-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride, 1-Piperidinepropanol, .beta.,.beta.,4-trimethyl-, benzoate (ester), hydrochloride, 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1), RefChem:1059120
| Molecular Formula | C18H28ClNO2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.18085 |
| Heavy Atoms | 22 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 67114-22-1 |
|---|---|
| SMILES | CC1CC[NH+](CC1)CC(C)(C)COC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | YZCMOBHZFGELIY-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 67114-22-1), with molecular formula C18H28ClNO2 and molecular weight 325.18 g/mol. IUPAC: [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride.
Chemical Property Profile of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
Property Insights of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
The XLogP value of -0.81 indicates that 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) 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 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The CAS number of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 67114-22-1.
What is the molecular formula of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is C18H28ClNO2.
What is the molecular weight of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 325.18 g/mol.
Where can I buy 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.