4-Piperidin-1-ylbenzonitrile
TL;DR: 4-Piperidin-1-ylbenzonitrile (CAS 12076-08-3) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-piperidin-1-ylbenzonitrile
Also Known As: 4-piperidin-1-ylbenzonitrile, 4-(Piperidin-1-yl)benzonitrile, 4-Piperidin-1-yl-benzonitrile, 4-Piperidinobenzonitrile, 4-(1-piperidinyl)benzonitrile
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 12076-08-3 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC=C(C=C2)C#N |
| InChIKey | ZEPXHFFGXQFUDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Piperidin-1-ylbenzonitrile (CAS 12076-08-3), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 4-piperidin-1-ylbenzonitrile.
Chemical Property Profile of 4-Piperidin-1-ylbenzonitrile
Property Insights of 4-Piperidin-1-ylbenzonitrile
The XLogP value of 3.1 indicates that 4-Piperidin-1-ylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 4-Piperidin-1-ylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidin-1-ylbenzonitrile 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 4-Piperidin-1-ylbenzonitrile?
The CAS number of 4-Piperidin-1-ylbenzonitrile is 12076-08-3.
What is the molecular formula of 4-Piperidin-1-ylbenzonitrile?
The molecular formula of 4-Piperidin-1-ylbenzonitrile is C12H14N2.
What is the molecular weight of 4-Piperidin-1-ylbenzonitrile?
The molecular weight of 4-Piperidin-1-ylbenzonitrile is 186.12 g/mol.
Where can I buy 4-Piperidin-1-ylbenzonitrile?
You can request a quote for 4-Piperidin-1-ylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidin-1-ylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidin-1-ylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.