1-Benzoyl-4-chloropiperidine
TL;DR: 1-Benzoyl-4-chloropiperidine (CAS 90670-04-5) is a chemical compound with molecular formula C12H14ClNO and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloropiperidin-1-yl)-phenylmethanone
Also Known As: 1-Benzoyl-4-chloropiperidine, (4-chloropiperidin-1-yl)(phenyl)methanone, (4-chloropiperidin-1-yl)-phenylmethanone
| Molecular Formula | C12H14ClNO |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.07639 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 90670-04-5 |
|---|---|
| SMILES | C1CN(CCC1Cl)C(=O)C2=CC=CC=C2 |
| InChIKey | JAEYUCUMRYBCHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzoyl-4-chloropiperidine (CAS 90670-04-5), with molecular formula C12H14ClNO and molecular weight 223.08 g/mol. IUPAC: (4-chloropiperidin-1-yl)-phenylmethanone.
Chemical Property Profile of 1-Benzoyl-4-chloropiperidine
Property Insights of 1-Benzoyl-4-chloropiperidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoyl-4-chloropiperidine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Benzoyl-4-chloropiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-4-chloropiperidine 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-chloropiperidine?
The CAS number of 1-Benzoyl-4-chloropiperidine is 90670-04-5.
What is the molecular formula of 1-Benzoyl-4-chloropiperidine?
The molecular formula of 1-Benzoyl-4-chloropiperidine is C12H14ClNO.
What is the molecular weight of 1-Benzoyl-4-chloropiperidine?
The molecular weight of 1-Benzoyl-4-chloropiperidine is 223.08 g/mol.
Where can I buy 1-Benzoyl-4-chloropiperidine?
You can request a quote for 1-Benzoyl-4-chloropiperidine 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-chloropiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-4-chloropiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.