1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine
TL;DR: 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine (CAS 180847-28-3) is a chemical compound with molecular formula C16H21FN2O and molecular weight 276.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-(3-fluoropropyl)piperidin-4-yl]methoxy]benzonitrile
Also Known As: 1-Fpr-4-cnphomep, (18F)FPS cpd, 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine, 4-[[1-(3-fluoropropyl)piperidin-4-yl]methoxy]benzonitrile, Benzonitrile, 4-((1-(3-fluoropropyl)-4-piperidinyl)methoxy)-
| Molecular Formula | C16H21FN2O |
|---|---|
| Molecular Weight | 276.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.1638 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 180847-28-3 |
|---|---|
| SMILES | C1CN(CCC1COC2=CC=C(C=C2)C#N)CCCF |
| InChIKey | KSMXCGCEJWKWOX-UHFFFAOYSA-N |
Product Overview
1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine (CAS 180847-28-3), with molecular formula C16H21FN2O and molecular weight 276.16 g/mol. IUPAC: 4-[[1-(3-fluoropropyl)piperidin-4-yl]methoxy]benzonitrile.
Chemical Property Profile of 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine
Property Insights of 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine
The XLogP value of 3.1 indicates that 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine has 0 hydrogen bond donor(s) and 4 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-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine?
The CAS number of 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine is 180847-28-3.
What is the molecular formula of 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine?
The molecular formula of 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine is C16H21FN2O.
What is the molecular weight of 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine?
The molecular weight of 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine is 276.16 g/mol.
Where can I buy 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine?
You can request a quote for 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.