1-Benzylpiperidin-3-one hydrochloride hydrate
TL;DR: 1-Benzylpiperidin-3-one hydrochloride hydrate (CAS 91599-78-9) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpiperidin-3-one;hydrate;hydrochloride
Also Known As: 1-Benzyl-3-piperidone hydrochloride hydrate, 1-benzylpiperidin-3-one hydrochloride hydrate, null, 1-benzylpiperidin-3-one;hydrate;hydrochloride, 1-benzyl-3-piperidonehcl hydrate
| Molecular Formula | C12H18ClNO2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 1.4486 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.1026 |
| Heavy Atoms | 16 |
| Complexity | 316.05463 |
Chemical Identifiers
| CAS Number | 91599-78-9 |
|---|---|
| SMILES | C1CC(=O)CN(C1)CC2=CC=CC=C2.O.Cl |
Product Overview
1-Benzylpiperidin-3-one hydrochloride hydrate (CAS 91599-78-9), with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol. IUPAC: 1-benzylpiperidin-3-one;hydrate;hydrochloride.
Chemical Property Profile of 1-Benzylpiperidin-3-one hydrochloride hydrate
Property Insights of 1-Benzylpiperidin-3-one hydrochloride hydrate
The XLogP value of 1.4486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylpiperidin-3-one hydrochloride hydrate. With a topological polar surface area (TPSA) of 51.81 Ų, 1-Benzylpiperidin-3-one hydrochloride hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylpiperidin-3-one hydrochloride hydrate has 0 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 1-Benzylpiperidin-3-one hydrochloride hydrate?
The CAS number of 1-Benzylpiperidin-3-one hydrochloride hydrate is 91599-78-9.
What is the molecular formula of 1-Benzylpiperidin-3-one hydrochloride hydrate?
The molecular formula of 1-Benzylpiperidin-3-one hydrochloride hydrate is C12H18ClNO2.
What is the molecular weight of 1-Benzylpiperidin-3-one hydrochloride hydrate?
The molecular weight of 1-Benzylpiperidin-3-one hydrochloride hydrate is 243.10 g/mol.
Where can I buy 1-Benzylpiperidin-3-one hydrochloride hydrate?
You can request a quote for 1-Benzylpiperidin-3-one hydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylpiperidin-3-one hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylpiperidin-3-one hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.