4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile
TL;DR: 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile (CAS 338399-96-5) is a chemical compound with molecular formula C15H17N3O2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-4-prop-2-enylpiperidine-4-carbonitrile
Also Known As: 4-allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile, 1-(4-nitrophenyl)-4-prop-2-enylpiperidine-4-carbonitrile, 2L-910, 1-(4-nitrophenyl)-4-(prop-2-en-1-yl)piperidine-4-carbonitrile
| Molecular Formula | C15H17N3O2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 3.28108 |
| Topological Polar Surface Area | 70.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.13208 |
| Heavy Atoms | 20 |
| Complexity | 537.2322 |
Chemical Identifiers
| CAS Number | 338399-96-5 |
|---|---|
| SMILES | C=CCC1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile (CAS 338399-96-5), with molecular formula C15H17N3O2 and molecular weight 271.13 g/mol. IUPAC: 1-(4-nitrophenyl)-4-prop-2-enylpiperidine-4-carbonitrile.
Chemical Property Profile of 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile
Property Insights of 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile
The XLogP value of 3.28108 indicates that 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile. Following Lipinski's Rule of Five, 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile has 0 hydrogen bond donor(s) and 4 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-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile?
The CAS number of 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile is 338399-96-5.
What is the molecular formula of 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile?
The molecular formula of 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile is C15H17N3O2.
What is the molecular weight of 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile?
The molecular weight of 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile is 271.13 g/mol.
Where can I buy 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile?
You can request a quote for 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-1-(4-nitrophenyl)-4-piperidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.