Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
TL;DR: Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride (CAS 54402-03-8) is a chemical compound with molecular formula C13H17Cl2NO and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-chlorophenyl)piperidin-1-ium-4-yl]ethanone chloride
Also Known As: 4-Acylo-4-(3-chlorofenylo)piperydyny chlorowodorku, 4-Acylo-4-(3-chlorofenylo)piperydyny chlorowodorku [Polish], ETHANONE, 1-(4-(3-CHLOROPHENYL)-4-PIPERIDINYL)-, HYDROCHLORIDE, 1-[4-(3-chlorophenyl)piperidin-1-ium-4-yl]ethanone chloride, RefChem:341173
| Molecular Formula | C13H17Cl2NO |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | -1.47 |
| Topological Polar Surface Area | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.06873 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 54402-03-8 |
|---|---|
| SMILES | CC(=O)C1(CC[NH2+]CC1)C2=CC(=CC=C2)Cl.[Cl-] |
| InChIKey | KOOLZYMTAJTCEP-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride (CAS 54402-03-8), with molecular formula C13H17Cl2NO and molecular weight 273.07 g/mol. IUPAC: 1-[4-(3-chlorophenyl)piperidin-1-ium-4-yl]ethanone chloride.
Chemical Property Profile of Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
Property Insights of Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
The XLogP value of -1.47 indicates that Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.7 Ų, Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride has 1 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 Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
The CAS number of Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride is 54402-03-8.
What is the molecular formula of Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
The molecular formula of Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride is C13H17Cl2NO.
What is the molecular weight of Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
The molecular weight of Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride is 273.07 g/mol.
Where can I buy Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
You can request a quote for Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.