哌啶基乙腈
TL;DR: 哌啶基乙腈 (CAS 3010-03-5) is a chemical compound with molecular formula C7H12N2 and molecular weight 124.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
哌啶基乙腈
2-piperidin-1-ylacetonitrile
Also Known As: Piperidinoacetonitrile, 1-Cyanomethylpiperidine, N-Cyanomethylpiperidine, 1-Piperidineacetonitrile, Piperidoacetonitrile
| Molecular Formula | C7H12N2 |
|---|---|
| Molecular Weight | 124.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.10005 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 3010-03-5 |
|---|---|
| SMILES | C1CCN(CC1)CC#N |
| InChIKey | CLVBVRODHJFTGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
哌啶基乙腈 (CAS 3010-03-5), with molecular formula C7H12N2 and molecular weight 124.10 g/mol. IUPAC: 2-piperidin-1-ylacetonitrile.
Chemical Property Profile of 哌啶基乙腈
Property Insights of 哌啶基乙腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 哌啶基乙腈. With a topological polar surface area (TPSA) of 27.0 Ų, 哌啶基乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 哌啶基乙腈 has 0 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 哌啶基乙腈?
The CAS number of 哌啶基乙腈 is 3010-03-5.
What is the molecular formula of 哌啶基乙腈?
The molecular formula of 哌啶基乙腈 is C7H12N2.
What is the molecular weight of 哌啶基乙腈?
The molecular weight of 哌啶基乙腈 is 124.10 g/mol.
Where can I buy 哌啶基乙腈?
You can request a quote for 哌啶基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 哌啶基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 哌啶基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.