1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904008-78-2) is a chemical compound with molecular formula C15H20N4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01311148-01, 1-methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-methyl-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C15H20N4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 1.5501 |
| Topological Polar Surface Area | 51.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.1688 |
| Heavy Atoms | 19 |
| Complexity | 523.9276 |
Chemical Identifiers
| CAS Number | 904008-78-2 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)N3CCNCC3)C#N |
Product Overview
1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904008-78-2), with molecular formula C15H20N4 and molecular weight 256.17 g/mol. IUPAC: 1-methyl-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 1.5501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. With a topological polar surface area (TPSA) of 51.95 Ų, 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 1 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 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 904008-78-2.
What is the molecular formula of 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C15H20N4.
What is the molecular weight of 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 256.17 g/mol.
Where can I buy 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-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-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.