1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
TL;DR: 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride (CAS 54402-04-9) is a chemical compound with molecular formula C15H21Cl2NO and molecular weight 301.10 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]butan-1-one chloride
Also Known As: 1-(4-(3-Chlorophenyl)-4-piperidinyl)-1-butanone hydrochloride, 1-BUTANONE, 1-(4-(3-CHLOROPHENYL)-4-PIPERIDINYL)-, HYDROCHLORIDE, 1-[4-(3-chlorophenyl)piperidin-1-ium-4-yl]butan-1-one chloride, RefChem:228839
| Molecular Formula | C15H21Cl2NO |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | -0.69 |
| Topological Polar Surface Area | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.1 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 54402-04-9 |
|---|---|
| SMILES | CCCC(=O)C1(CC[NH2+]CC1)C2=CC(=CC=C2)Cl.[Cl-] |
| InChIKey | FPIPBOHEXNSGDO-UHFFFAOYSA-N |
Product Overview
1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride (CAS 54402-04-9), with molecular formula C15H21Cl2NO and molecular weight 301.10 g/mol. IUPAC: 1-[4-(3-chlorophenyl)piperidin-1-ium-4-yl]butan-1-one chloride.
Chemical Property Profile of 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
Property Insights of 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
The XLogP value of -0.69 indicates that 1-Butanone, 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, 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 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 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
The CAS number of 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride is 54402-04-9.
What is the molecular formula of 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
The molecular formula of 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride is C15H21Cl2NO.
What is the molecular weight of 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
The molecular weight of 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride is 301.10 g/mol.
Where can I buy 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
You can request a quote for 1-Butanone, 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 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.