![{[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile structure](/static/products/859/85903-66-8.png)
{[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile
TL;DR: {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile (CAS 85903-66-8) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(piperidine-1-carbonyl)anilino]acetonitrile
Also Known As: KST-1B8923, {[4-(piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile, [4-(Piperidine-1-carbonyl)anilino]acetonitrile, 2-[4-(piperidine-1-carbonyl)anilino]acetonitrile, Acetonitrile,2-[[4-(1-piperidinylcarbonyl)phenyl]amino]-
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 85903-66-8 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C2=CC=C(C=C2)NCC#N |
| InChIKey | QEELEKGDOQLSQK-UHFFFAOYSA-N |
Product Overview
{[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile (CAS 85903-66-8), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 2-[4-(piperidine-1-carbonyl)anilino]acetonitrile.
Chemical Property Profile of {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile
Property Insights of {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile. With a topological polar surface area (TPSA) of 56.1 Ų, {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile has 1 hydrogen bond donor(s) and 3 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-ylcarbonyl)phenyl]amino}acetonitrile?
The CAS number of {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile is 85903-66-8.
What is the molecular formula of {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile?
The molecular formula of {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile is C14H17N3O.
What is the molecular weight of {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile?
The molecular weight of {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile is 243.14 g/mol.
Where can I buy {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile?
You can request a quote for {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile 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-ylcarbonyl)phenyl]amino}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {[4-(Piperidin-1-ylcarbonyl)phenyl]amino}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.