3-Methyl-1-(1-piperidinyl)-1-butanone
TL;DR: 3-Methyl-1-(1-piperidinyl)-1-butanone (CAS 18071-41-5) is a chemical compound with molecular formula C10H19NO and molecular weight 169.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-piperidin-1-ylbutan-1-one
Also Known As: 1-(3-Methylbutanoyl)piperidine, Piperidine, 1-isovaleryl-, 3-Methyl-1-piperidino-1-butanone, 3-methyl-1-piperidin-1-ylbutan-1-one, 3-methyl-1-(piperidin-1-yl)butan-1-one
| Molecular Formula | C10H19NO |
|---|---|
| Molecular Weight | 169.15 g/mol |
| LogP | 2.045 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.14667 |
| Heavy Atoms | 12 |
| Complexity | 147.91757 |
Chemical Identifiers
| CAS Number | 18071-41-5 |
|---|---|
| SMILES | CC(C)CC(=O)N1CCCCC1 |
Product Overview
3-Methyl-1-(1-piperidinyl)-1-butanone (CAS 18071-41-5), with molecular formula C10H19NO and molecular weight 169.15 g/mol. IUPAC: 3-methyl-1-piperidin-1-ylbutan-1-one.
Chemical Property Profile of 3-Methyl-1-(1-piperidinyl)-1-butanone
Property Insights of 3-Methyl-1-(1-piperidinyl)-1-butanone
The XLogP value of 2.045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-(1-piperidinyl)-1-butanone. With a topological polar surface area (TPSA) of 20.31 Ų, 3-Methyl-1-(1-piperidinyl)-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-(1-piperidinyl)-1-butanone 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 3-Methyl-1-(1-piperidinyl)-1-butanone?
The CAS number of 3-Methyl-1-(1-piperidinyl)-1-butanone is 18071-41-5.
What is the molecular formula of 3-Methyl-1-(1-piperidinyl)-1-butanone?
The molecular formula of 3-Methyl-1-(1-piperidinyl)-1-butanone is C10H19NO.
What is the molecular weight of 3-Methyl-1-(1-piperidinyl)-1-butanone?
The molecular weight of 3-Methyl-1-(1-piperidinyl)-1-butanone is 169.15 g/mol.
Where can I buy 3-Methyl-1-(1-piperidinyl)-1-butanone?
You can request a quote for 3-Methyl-1-(1-piperidinyl)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-(1-piperidinyl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-(1-piperidinyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.