1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine
TL;DR: 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine (CAS 54999-07-4) is a chemical compound with molecular formula C14H21ClN2O and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropropyl)-4-(4-methoxyphenyl)piperazine
Also Known As: 1-(3-chloropropyl)-4-(4-methoxyphenyl)piperazine, Piperazine, 1-(3-chloropropyl)-4-(p-methoxyphenyl)-, 1-(3-Chloropropyl)-4-(p-methoxyphenyl)piperazine, J1.410.647B, 5-23-02-00026 (Beilstein Handbook Reference)
| Molecular Formula | C14H21ClN2O |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.13425 |
| Heavy Atoms | 18 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 54999-07-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)CCCCl |
| InChIKey | MSMRLFVBNHULKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine (CAS 54999-07-4), with molecular formula C14H21ClN2O and molecular weight 268.13 g/mol. IUPAC: 1-(3-chloropropyl)-4-(4-methoxyphenyl)piperazine.
Chemical Property Profile of 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine
Property Insights of 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine. With a topological polar surface area (TPSA) of 15.7 Ų, 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine 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 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine?
The CAS number of 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine is 54999-07-4.
What is the molecular formula of 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine?
The molecular formula of 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine is C14H21ClN2O.
What is the molecular weight of 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine?
The molecular weight of 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine is 268.13 g/mol.
Where can I buy 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine?
You can request a quote for 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.