1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-
TL;DR: 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- (CAS 76167-85-6) is a chemical compound with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyrimidin-2-ylpiperidin-4-amine
Also Known As: 5-((N-(2-(2-Pyrimidinyl)-4-piperidyl)methylamino)methyl)-1,3-benzodioxole, 1,3-BENZODIOXOLE, 5-((N-(2-(2-PYRIMIDINYL)-4-PIPERIDYL)METHYLAMINO)METHYL)-, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-methyl-2-(pyrimidin-2-yl)piperidin-4-amine, N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyrimidin-2-ylpiperidin-4-amine, 5-[[N-[2-(2-Pyrimidinyl)-4-piperidyl]-N-methylamino]methyl]-1,3-benzodioxole
| Molecular Formula | C18H22N4O2 |
|---|---|
| Molecular Weight | 326.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1743 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 76167-85-6 |
|---|---|
| SMILES | CN(CC1=CC2=C(C=C1)OCO2)C3CCNC(C3)C4=NC=CC=N4 |
| InChIKey | RNNFLJCPJCSFHR-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- (CAS 76167-85-6), with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyrimidin-2-ylpiperidin-4-amine.
Chemical Property Profile of 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-
Property Insights of 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-. With a topological polar surface area (TPSA) of 59.5 Ų, 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- has 1 hydrogen bond donor(s) and 6 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 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-?
The CAS number of 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- is 76167-85-6.
What is the molecular formula of 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-?
The molecular formula of 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- is C18H22N4O2.
What is the molecular weight of 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-?
The molecular weight of 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- is 326.17 g/mol.
Where can I buy 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-?
You can request a quote for 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.