4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride
TL;DR: 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride (CAS 96145-86-7) is a chemical compound with molecular formula C12H22ClNO and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-piperidin-1-ylhex-4-yn-3-ol;hydrochloride
Also Known As: 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride, 3-methyl-6-(1-piperidyl)hex-4-yn-3-ol Hydrochloride, 3-methyl-6-piperidin-1-ylhex-4-yn-3-ol hydrochloride, 3-methyl-6-piperidin-1-ylhex-4-yn-3-ol,hydrochloride, 3-Methyl-6-(piperidin-1-yl)hex-4-yn-3-ol--hydrogen chloride (1/1)
| Molecular Formula | C12H22ClNO |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 2.0585 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.13899 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 96145-86-7 |
|---|---|
| SMILES | CCC(C)(C#CCN1CCCCC1)O.Cl |
| InChIKey | PWVPZBVYXPLVKL-UHFFFAOYSA-N |
Product Overview
4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride (CAS 96145-86-7), with molecular formula C12H22ClNO and molecular weight 231.14 g/mol. IUPAC: 3-methyl-6-piperidin-1-ylhex-4-yn-3-ol;hydrochloride.
Chemical Property Profile of 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride
Property Insights of 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride
The XLogP value of 2.0585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride. With a topological polar surface area (TPSA) of 23.5 Ų, 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride has 2 hydrogen bond donor(s) and 2 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-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride?
The CAS number of 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride is 96145-86-7.
What is the molecular formula of 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride?
The molecular formula of 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride is C12H22ClNO.
What is the molecular weight of 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride?
The molecular weight of 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride is 231.14 g/mol.
Where can I buy 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride?
You can request a quote for 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyn-3-ol, 3-methyl-6-(1-piperidinyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.