1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1)
TL;DR: 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1) (CAS 64048-78-8) is a chemical compound with molecular formula C15H20ClNO2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-4-yl) 2-phenylprop-2-enoate chloride
Also Known As: 1-Methyl-4-piperidyl alpha-phenylacrylate hydrochloride, ATROPIC ACID, 4-(N-METHYLPIPERIDYL) ESTER, HYDROCHLORIDE, (1-methylpiperidin-1-ium-4-yl) 2-phenylprop-2-enoate chloride, 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-methylene-, 1-methyl-4-piperidinyl ester, hydrochloride
| Molecular Formula | C15H20ClNO2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | -2.08 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.11826 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 64048-78-8 |
|---|---|
| SMILES | C[NH+]1CCC(CC1)OC(=O)C(=C)C2=CC=CC=C2.[Cl-] |
| InChIKey | ZDNCYUQHNGXFDO-UHFFFAOYSA-N |
Product Overview
1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1) (CAS 64048-78-8), with molecular formula C15H20ClNO2 and molecular weight 281.12 g/mol. IUPAC: (1-methylpiperidin-1-ium-4-yl) 2-phenylprop-2-enoate chloride.
Chemical Property Profile of 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1)
Property Insights of 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1)
The XLogP value of -2.08 indicates that 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--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, 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--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 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1)?
The CAS number of 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1) is 64048-78-8.
What is the molecular formula of 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1)?
The molecular formula of 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1) is C15H20ClNO2.
What is the molecular weight of 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1)?
The molecular weight of 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1) is 281.12 g/mol.
Where can I buy 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1)?
You can request a quote for 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--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 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpiperidin-4-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.