1-Piperidinebutyronitrile
TL;DR: 1-Piperidinebutyronitrile (CAS 4672-18-8) is a chemical compound with molecular formula C9H16N2 and molecular weight 152.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-piperidin-1-ylbutanenitrile
Also Known As: 1-Piperidinebutanenitrile, 1-Piperidinebutyronitrile, 4-Piperidinobutyronitrile, 4-(piperidin-1-yl)butanenitrile, piperidinebutanenitrile
| Molecular Formula | C9H16N2 |
|---|---|
| Molecular Weight | 152.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.13135 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 4672-18-8 |
|---|---|
| SMILES | C1CCN(CC1)CCCC#N |
| InChIKey | CVROVTGNNDIZNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Piperidinebutyronitrile (CAS 4672-18-8), with molecular formula C9H16N2 and molecular weight 152.13 g/mol. IUPAC: 4-piperidin-1-ylbutanenitrile.
Chemical Property Profile of 1-Piperidinebutyronitrile
Property Insights of 1-Piperidinebutyronitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinebutyronitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Piperidinebutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinebutyronitrile 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 1-Piperidinebutyronitrile?
The CAS number of 1-Piperidinebutyronitrile is 4672-18-8.
What is the molecular formula of 1-Piperidinebutyronitrile?
The molecular formula of 1-Piperidinebutyronitrile is C9H16N2.
What is the molecular weight of 1-Piperidinebutyronitrile?
The molecular weight of 1-Piperidinebutyronitrile is 152.13 g/mol.
Where can I buy 1-Piperidinebutyronitrile?
You can request a quote for 1-Piperidinebutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinebutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinebutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.