4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride
TL;DR: 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride (CAS 106010-31-5) is a chemical compound with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-but-3-en-1-ynyl-1-methylpiperidin-4-yl) benzoate;hydrochloride
Also Known As: 1-Methyl-4-vinylethynyl-4-benzoyloxypiperidine hydrochloride, 4-(3-Buten-1-ynyl)-1-methyl-4-piperidinol benzoate (ester), hydrochloride, 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride, (4-but-3-en-1-ynyl-1-methylpiperidin-4-yl) benzoate hydrochloride, 4-(But-3-en-1-yn-1-yl)-1-methylpiperidin-4-yl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C17H20ClNO2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 2.919 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.11826 |
| Heavy Atoms | 21 |
| Complexity | 536.9037 |
Chemical Identifiers
| CAS Number | 106010-31-5 |
|---|---|
| SMILES | CN1CCC(CC1)(C#CC=C)OC(=O)C2=CC=CC=C2.Cl |
Product Overview
4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride (CAS 106010-31-5), with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol. IUPAC: (4-but-3-en-1-ynyl-1-methylpiperidin-4-yl) benzoate;hydrochloride.
Chemical Property Profile of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride
Property Insights of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride
The XLogP value of 2.919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride. With a topological polar surface area (TPSA) of 29.54 Ų, 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride has 0 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-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride?
The CAS number of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride is 106010-31-5.
What is the molecular formula of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride?
The molecular formula of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride is C17H20ClNO2.
What is the molecular weight of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride?
The molecular weight of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride is 305.12 g/mol.
Where can I buy 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride?
You can request a quote for 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, benzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.