1-Piperidinecarboxylic acid, isopropyl ester
TL;DR: 1-Piperidinecarboxylic acid, isopropyl ester (CAS 104140-07-0) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl piperidine-1-carboxylate
Also Known As: N-(Isopropoxycarbonyl)piperidine, 1-(Isopropoxycarbonyl)piperidine, 1-Piperidinecarboxylic acid, isopropyl ester, propan-2-yl piperidine-1-carboxylate, N-(1-Methylethoxycarbonyl)piperidine
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 104140-07-0 |
|---|---|
| SMILES | CC(C)OC(=O)N1CCCCC1 |
| InChIKey | NVMHDJQDTCMXLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Piperidinecarboxylic acid, isopropyl ester (CAS 104140-07-0), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: propan-2-yl piperidine-1-carboxylate.
Chemical Property Profile of 1-Piperidinecarboxylic acid, isopropyl ester
Property Insights of 1-Piperidinecarboxylic acid, isopropyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinecarboxylic acid, isopropyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Piperidinecarboxylic acid, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinecarboxylic acid, isopropyl ester 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-Piperidinecarboxylic acid, isopropyl ester?
The CAS number of 1-Piperidinecarboxylic acid, isopropyl ester is 104140-07-0.
What is the molecular formula of 1-Piperidinecarboxylic acid, isopropyl ester?
The molecular formula of 1-Piperidinecarboxylic acid, isopropyl ester is C9H17NO2.
What is the molecular weight of 1-Piperidinecarboxylic acid, isopropyl ester?
The molecular weight of 1-Piperidinecarboxylic acid, isopropyl ester is 171.13 g/mol.
Where can I buy 1-Piperidinecarboxylic acid, isopropyl ester?
You can request a quote for 1-Piperidinecarboxylic acid, isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinecarboxylic acid, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinecarboxylic acid, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.