4-(Piperidin-1-ylmethyl)benzonitrile
TL;DR: 4-(Piperidin-1-ylmethyl)benzonitrile (CAS 727733-92-8) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(piperidin-1-ylmethyl)benzonitrile
Also Known As: 4-(piperidin-1-ylmethyl)benzonitrile, 4-[(piperidin-1-yl)methyl]benzonitrile, 1-(4-CYANOBENZYL)PIPERIDINE, 4-(1-piperidylmethyl)benzonitrile, 4-(Piperidinomethyl)benzonitrile
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 2.54418 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 341.79385 |
Chemical Identifiers
| CAS Number | 727733-92-8 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC=C(C=C2)C#N |
Product Overview
4-(Piperidin-1-ylmethyl)benzonitrile (CAS 727733-92-8), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 4-(piperidin-1-ylmethyl)benzonitrile.
Chemical Property Profile of 4-(Piperidin-1-ylmethyl)benzonitrile
Property Insights of 4-(Piperidin-1-ylmethyl)benzonitrile
The XLogP value of 2.54418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Piperidin-1-ylmethyl)benzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 4-(Piperidin-1-ylmethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Piperidin-1-ylmethyl)benzonitrile 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 4-(Piperidin-1-ylmethyl)benzonitrile?
The CAS number of 4-(Piperidin-1-ylmethyl)benzonitrile is 727733-92-8.
What is the molecular formula of 4-(Piperidin-1-ylmethyl)benzonitrile?
The molecular formula of 4-(Piperidin-1-ylmethyl)benzonitrile is C13H16N2.
What is the molecular weight of 4-(Piperidin-1-ylmethyl)benzonitrile?
The molecular weight of 4-(Piperidin-1-ylmethyl)benzonitrile is 200.13 g/mol.
Where can I buy 4-(Piperidin-1-ylmethyl)benzonitrile?
You can request a quote for 4-(Piperidin-1-ylmethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Piperidin-1-ylmethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Piperidin-1-ylmethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.