3-(Piperidine-1-carbonyl)benzonitrile
TL;DR: 3-(Piperidine-1-carbonyl)benzonitrile (CAS 1003647-40-2) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(piperidine-1-carbonyl)benzonitrile
Also Known As: 3-(Piperidinocarbonyl)benzonitrile, 3-(piperidine-1-carbonyl)benzonitrile, 3-(piperidin-1-ylcarbonyl)benzonitrile, G19209
Technical Specifications
| Molecular Formula | C13H14N2O |
| Molecular Weight | 214.11061 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.11061 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | C1CCN(CC1)C(=O)C2=CC=CC(=C2)C#N |
| InChIKey | VLJJHOCXGISZMY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Piperidine-1-carbonyl)benzonitrile
Property Insights of 3-(Piperidine-1-carbonyl)benzonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Piperidine-1-carbonyl)benzonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(Piperidine-1-carbonyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Piperidine-1-carbonyl)benzonitrile 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
What is the CAS number of 3-(Piperidine-1-carbonyl)benzonitrile?
The CAS number of 3-(Piperidine-1-carbonyl)benzonitrile is 1003647-40-2.
What is the molecular formula of 3-(Piperidine-1-carbonyl)benzonitrile?
The molecular formula of 3-(Piperidine-1-carbonyl)benzonitrile is C13H14N2O.
What is the molecular weight of 3-(Piperidine-1-carbonyl)benzonitrile?
The molecular weight of 3-(Piperidine-1-carbonyl)benzonitrile is 214.11061 g/mol.
Where can I buy 3-(Piperidine-1-carbonyl)benzonitrile?
You can request a quote for 3-(Piperidine-1-carbonyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Piperidine-1-carbonyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Piperidine-1-carbonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.