1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine
TL;DR: 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine (CAS 96316-00-6) is a chemical compound with molecular formula C18H24N2S and molecular weight 300.16602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine
Also Known As: Metaphit, METHAPHIT, 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine, Lopac0_000843, 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24N2S |
| Molecular Weight | 300.16602 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.16602 Da |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
| SMILES | C1CCC(CC1)(C2=CC(=CC=C2)N=C=S)N3CCCCC3 |
| InChIKey | FGSGBQAQSPSRJK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine
Property Insights of 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine
The XLogP value of 5.0 indicates that 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.7 Ų, 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine 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
What is the CAS number of 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine?
The CAS number of 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine is 96316-00-6.
What is the molecular formula of 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine?
The molecular formula of 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine is C18H24N2S.
What is the molecular weight of 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine?
The molecular weight of 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine is 300.16602 g/mol.
Where can I buy 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine?
You can request a quote for 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine?
Yes, CoreyChem provides custom synthesis services for 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.