![1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one structure](/static/products/6136/613658-59-6.webp)
1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
TL;DR: 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one (CAS 613658-59-6) is a chemical compound with molecular formula C22H29NO3 and molecular weight 355.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperidine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Also Known As: 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one, (1S,4S)-1-(4-BENZYLPIPERIDINE-1-CARBONYL)-4,7,7-TRIMETHYL-2-OXABICYCLO[2.2.1]HEPTAN-3-ONE, 1,7,7-trimethyl-4-{[4-benzylpiperidyl]carbonyl}-3-oxabicyclo[2.2.1]heptan-2-on e, 4-(4-benzylpiperidine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one
| Molecular Formula | C22H29NO3 |
|---|---|
| Molecular Weight | 355.21 g/mol |
| LogP | 3.5896 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.21475 |
| Heavy Atoms | 26 |
| Complexity | 720.1627 |
Chemical Identifiers
| CAS Number | 613658-59-6 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C)C |
Product Overview
1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one (CAS 613658-59-6), with molecular formula C22H29NO3 and molecular weight 355.21 g/mol. IUPAC: 1-(4-benzylpiperidine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one.
Chemical Property Profile of 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Property Insights of 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
The XLogP value of 3.5896 indicates that 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one has 0 hydrogen bond donor(s) and 3 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-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one?
The CAS number of 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one is 613658-59-6.
What is the molecular formula of 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one?
The molecular formula of 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one is C22H29NO3.
What is the molecular weight of 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one?
The molecular weight of 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one is 355.21 g/mol.
Where can I buy 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one?
You can request a quote for 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-benzylpiperidin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.