3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine
TL;DR: 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine (CAS 187-96-2) is a chemical compound with molecular formula C20H26FNS and molecular weight 331.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-3-(fluoromethyl)piperidine
Also Known As: 3-Fluoromethyl-btcp, KST-1B1285, 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-3-(fluoromethyl)piperidine, 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine, Tribenzo(de,h,kl)naphtho(1,2,3,4-rst)tetraphene
| Molecular Formula | C20H26FNS |
|---|---|
| Molecular Weight | 331.18 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.177 |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 187-96-2 |
|---|---|
| SMILES | C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCC(C4)CF |
| InChIKey | YFHOQGMMEMFUAQ-UHFFFAOYSA-N |
Product Overview
3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine (CAS 187-96-2), with molecular formula C20H26FNS and molecular weight 331.18 g/mol. IUPAC: 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-3-(fluoromethyl)piperidine.
Chemical Property Profile of 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine
Property Insights of 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine
The XLogP value of 5.5 indicates that 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine?
The CAS number of 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine is 187-96-2.
What is the molecular formula of 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine?
The molecular formula of 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine is C20H26FNS.
What is the molecular weight of 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine?
The molecular weight of 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine is 331.18 g/mol.
Where can I buy 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine?
You can request a quote for 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoromethyl-1-(1-(2-benzothienyl)cyclohexyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.