4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)
TL;DR: 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1) (CAS 67031-90-7) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpiperidin-1-ium-1-yl)butyl benzoate chloride
Also Known As: BENZOIC ACID, 4-(2-METHYLPIPERIDINO)BUTYL ESTER, HYDROCHLORIDE, 4-(2-methylpiperidin-1-ium-1-yl)butyl benzoate chloride, 1-Piperidinebutanol, 2-methyl-, benzoate (ester), hydrochloride, 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1), RefChem:1069843
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 67031-90-7 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCCOC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | VFGHAKXEHYZFFZ-UHFFFAOYSA-N |
Product Overview
4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1) (CAS 67031-90-7), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: 4-(2-methylpiperidin-1-ium-1-yl)butyl benzoate chloride.
Chemical Property Profile of 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)
Property Insights of 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)
The XLogP value of -0.92 indicates that 4-(2-Methylpiperidin-1-yl)butyl 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, 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methylpiperidin-1-yl)butyl 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 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)?
The CAS number of 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1) is 67031-90-7.
What is the molecular formula of 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1) is C17H26ClNO2.
What is the molecular weight of 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1) is 311.17 g/mol.
Where can I buy 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 4-(2-Methylpiperidin-1-yl)butyl 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 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.