3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)
TL;DR: 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1) (CAS 67114-21-0) is a chemical compound with molecular formula C18H28ClNO2 and molecular weight 325.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-methyl-4-(4-methylpiperidin-1-ium-1-yl)butan-2-yl] benzoate chloride
Also Known As: BENZOIC ACID, 1,2-DIMETHYL-3-(4-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, [3-methyl-4-(4-methylpiperidin-1-ium-1-yl)butan-2-yl] benzoate chloride, 1-Piperidinepropanol, .alpha.,.beta.,4-trimethyl-, benzoate (ester), hydrochloride, 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C18H28ClNO2 |
| Molecular Weight | 325.18085 g/mol |
| XLogP | -0.81 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.18085 Da |
| Heavy Atoms | 22 |
| Complexity | 317.0 |
| SMILES | CC1CC[NH+](CC1)CC(C)C(C)OC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | VMQCTBMMVYOESR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)
Property Insights of 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)
The XLogP value of -0.81 indicates that 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl 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, 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl 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
What is the CAS number of 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)?
The CAS number of 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1) is 67114-21-0.
What is the molecular formula of 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1) is C18H28ClNO2.
What is the molecular weight of 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1) is 325.18085 g/mol.
Where can I buy 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.