1-(2-Piperidinyl)-2-propanone
TL;DR: 1-(2-Piperidinyl)-2-propanone (CAS 4396-01-4) is a chemical compound with molecular formula C8H15NO and molecular weight 141.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-2-ylpropan-2-one
Also Known As: Pelletierine, Isopelletierin, dl-Pelletierine, Isopelletierine, Isopunicine
| Molecular Formula | C8H15NO |
|---|---|
| Molecular Weight | 141.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.11537 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 4396-01-4 |
|---|---|
| SMILES | CC(=O)CC1CCCCN1 |
| InChIKey | JEIZLWNUBXHADF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Piperidinyl)-2-propanone (CAS 4396-01-4), with molecular formula C8H15NO and molecular weight 141.12 g/mol. IUPAC: 1-piperidin-2-ylpropan-2-one.
Chemical Property Profile of 1-(2-Piperidinyl)-2-propanone
Property Insights of 1-(2-Piperidinyl)-2-propanone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Piperidinyl)-2-propanone. With a topological polar surface area (TPSA) of 29.1 Ų, 1-(2-Piperidinyl)-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Piperidinyl)-2-propanone has 1 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-(2-Piperidinyl)-2-propanone?
The CAS number of 1-(2-Piperidinyl)-2-propanone is 4396-01-4.
What is the molecular formula of 1-(2-Piperidinyl)-2-propanone?
The molecular formula of 1-(2-Piperidinyl)-2-propanone is C8H15NO.
What is the molecular weight of 1-(2-Piperidinyl)-2-propanone?
The molecular weight of 1-(2-Piperidinyl)-2-propanone is 141.12 g/mol.
Where can I buy 1-(2-Piperidinyl)-2-propanone?
You can request a quote for 1-(2-Piperidinyl)-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Piperidinyl)-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Piperidinyl)-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.