Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide
TL;DR: Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide (CAS 76008-48-5) is a chemical compound with molecular formula C12H21BrN2 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-1-ylcyclohexane-1-carbonitrile;hydrobromide
Also Known As: PCC hydrobromide, 1-(1-Cyanocyclohexyl)piperidine hydrobromide, Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide, 1-Piperidinocyclohexanecarbonitrile hydrobromide, Cyclohexanecarbonitrile, 1-(1-piperidinyl)-, hydrobromide
| Molecular Formula | C12H21BrN2 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 3.27668 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.0888 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 76008-48-5 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)N2CCCCC2.Br |
| InChIKey | UYKRJJIPHRYDIR-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide (CAS 76008-48-5), with molecular formula C12H21BrN2 and molecular weight 272.09 g/mol. IUPAC: 1-piperidin-1-ylcyclohexane-1-carbonitrile;hydrobromide.
Chemical Property Profile of Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide
Property Insights of Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide
The XLogP value of 3.27668 indicates that Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide 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 Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide?
The CAS number of Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide is 76008-48-5.
What is the molecular formula of Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide?
The molecular formula of Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide is C12H21BrN2.
What is the molecular weight of Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide?
The molecular weight of Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide is 272.09 g/mol.
Where can I buy Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide?
You can request a quote for Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarbonitrile, 1-piperidino-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.