1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile
TL;DR: 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile (CAS 312288-47-4) is a chemical compound with molecular formula C16H19N3 and molecular weight 253.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(piperidin-1-ylmethyl)indole-3-carbonitrile
Also Known As: TimTec1_000520, BAS 01507760, 1-methyl-2-(piperidylmethyl)indole-3-carbonitrile, 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile, BRD-K34895295-001-01-0
| Molecular Formula | C16H19N3 |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.1579 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 312288-47-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CN3CCCCC3)C#N |
| InChIKey | KOMQSCQBRRLIBG-UHFFFAOYSA-N |
Product Overview
1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile (CAS 312288-47-4), with molecular formula C16H19N3 and molecular weight 253.16 g/mol. IUPAC: 1-methyl-2-(piperidin-1-ylmethyl)indole-3-carbonitrile.
Chemical Property Profile of 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile
Property Insights of 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile. With a topological polar surface area (TPSA) of 32.0 Ų, 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile has 0 hydrogen bond donor(s) and 2 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-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile?
The CAS number of 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile is 312288-47-4.
What is the molecular formula of 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile?
The molecular formula of 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile is C16H19N3.
What is the molecular weight of 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile?
The molecular weight of 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile is 253.16 g/mol.
Where can I buy 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile?
You can request a quote for 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-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-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.