1-Benzoyl-4-tert-butylpiperidine
TL;DR: 1-Benzoyl-4-tert-butylpiperidine (CAS 787-50-8) is a chemical compound with molecular formula C16H23NO and molecular weight 245.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylpiperidin-1-yl)-phenylmethanone
Also Known As: 1-benzoyl-4-tert-butylpiperidine, (4-tert-butylpiperidin-1-yl)-phenylmethanone, NCI60_005078, (4-tert-butylpiperidin-1-yl)(phenyl)methanone, AE-562/12222829
| Molecular Formula | C16H23NO |
|---|---|
| Molecular Weight | 245.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.17796 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 787-50-8 |
|---|---|
| SMILES | CC(C)(C)C1CCN(CC1)C(=O)C2=CC=CC=C2 |
| InChIKey | UVPFTRNYXLMKBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzoyl-4-tert-butylpiperidine (CAS 787-50-8), with molecular formula C16H23NO and molecular weight 245.18 g/mol. IUPAC: (4-tert-butylpiperidin-1-yl)-phenylmethanone.
Chemical Property Profile of 1-Benzoyl-4-tert-butylpiperidine
Property Insights of 1-Benzoyl-4-tert-butylpiperidine
The XLogP value of 3.9 indicates that 1-Benzoyl-4-tert-butylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Benzoyl-4-tert-butylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-4-tert-butylpiperidine has 0 hydrogen bond donor(s) and 1 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-Benzoyl-4-tert-butylpiperidine?
The CAS number of 1-Benzoyl-4-tert-butylpiperidine is 787-50-8.
What is the molecular formula of 1-Benzoyl-4-tert-butylpiperidine?
The molecular formula of 1-Benzoyl-4-tert-butylpiperidine is C16H23NO.
What is the molecular weight of 1-Benzoyl-4-tert-butylpiperidine?
The molecular weight of 1-Benzoyl-4-tert-butylpiperidine is 245.18 g/mol.
Where can I buy 1-Benzoyl-4-tert-butylpiperidine?
You can request a quote for 1-Benzoyl-4-tert-butylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-4-tert-butylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-4-tert-butylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.