1-Butyl-4-(phenylamino)piperidine-4-carbonitrile
TL;DR: 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile (CAS 28863-97-0) is a chemical compound with molecular formula C16H23N3 and molecular weight 257.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-1-butylpiperidine-4-carbonitrile
Also Known As: TimTec1_000287, BAS 01507401, 1-butyl-4-(phenylamino)piperidine-4-carbonitrile, 1-Butyl-4-phenylamino-piperidine-4-carbonitrile, 4-anilino-1-butylpiperidine-4-carbonitrile
| Molecular Formula | C16H23N3 |
|---|---|
| Molecular Weight | 257.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1892 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 28863-97-0 |
|---|---|
| SMILES | CCCCN1CCC(CC1)(C#N)NC2=CC=CC=C2 |
| InChIKey | UATXYMQIUKCAHT-UHFFFAOYSA-N |
Product Overview
1-Butyl-4-(phenylamino)piperidine-4-carbonitrile (CAS 28863-97-0), with molecular formula C16H23N3 and molecular weight 257.19 g/mol. IUPAC: 4-anilino-1-butylpiperidine-4-carbonitrile.
Chemical Property Profile of 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile
Property Insights of 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile
The XLogP value of 3.3 indicates that 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.1 Ų, 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile 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 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile?
The CAS number of 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile is 28863-97-0.
What is the molecular formula of 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile?
The molecular formula of 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile is C16H23N3.
What is the molecular weight of 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile?
The molecular weight of 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile is 257.19 g/mol.
Where can I buy 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile?
You can request a quote for 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-4-(phenylamino)piperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.