1-Benzyl-4-(butylamino)piperidine-4-carbonitrile
TL;DR: 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile (CAS 963-08-6) is a chemical compound with molecular formula C17H25N3 and molecular weight 271.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(butylamino)piperidine-4-carbonitrile
Also Known As: 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile, Piperidine-4-carbonitrile, 1-benzyl-4-(butylamino)-, 1-Benzyl-4-(butylamino)-4-piperidinecarbonitrile, 1-Benzyl-4-Butylamino-Piperidine-4-Carbonitrile Hydrate, 4-Piperidinecarbonitrile,4-(butylamino)-1-(phenylmethyl)-
| Molecular Formula | C17H25N3 |
|---|---|
| Molecular Weight | 271.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.20483 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 963-08-6 |
|---|---|
| SMILES | CCCCNC1(CCN(CC1)CC2=CC=CC=C2)C#N |
| InChIKey | UUBVCUBWRBXOGL-UHFFFAOYSA-N |
Product Overview
1-Benzyl-4-(butylamino)piperidine-4-carbonitrile (CAS 963-08-6), with molecular formula C17H25N3 and molecular weight 271.20 g/mol. IUPAC: 1-benzyl-4-(butylamino)piperidine-4-carbonitrile.
Chemical Property Profile of 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile
Property Insights of 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile. With a topological polar surface area (TPSA) of 39.1 Ų, 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(butylamino)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-Benzyl-4-(butylamino)piperidine-4-carbonitrile?
The CAS number of 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile is 963-08-6.
What is the molecular formula of 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile?
The molecular formula of 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile is C17H25N3.
What is the molecular weight of 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile?
The molecular weight of 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile is 271.20 g/mol.
Where can I buy 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile?
You can request a quote for 1-Benzyl-4-(butylamino)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-Benzyl-4-(butylamino)piperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.