1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-
TL;DR: 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- (CAS 76167-80-1) 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-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
Also Known As: 1,3-BENZODIOXOLE, 5-(4-(N-(2-PYRIMIDINYL)METHYLAMINO)PIPERIDINOMETHYL)-, 5-(4-(N-(2-Pyrimidinyl)methylamino)piperidinomethyl)-1,3-benzodioxole, N-{1-[(2H-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl}-N-methylpyrimidin-2-amine, 5-[4-[N-(2-Pyrimidinyl)-N-methylamino]piperidinomethyl]-1,3-benzodioxole, N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
| Molecular Formula | C18H22N4O2 |
|---|---|
| Molecular Weight | 326.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1743 |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 76167-80-1 |
|---|---|
| SMILES | CN(C1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4 |
| InChIKey | JDHZJJJQURSBLE-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- (CAS 76167-80-1), with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-N-methylpyrimidin-2-amine.
Chemical Property Profile of 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-
Property Insights of 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-. With a topological polar surface area (TPSA) of 50.7 Ų, 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- has 0 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-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-?
The CAS number of 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- is 76167-80-1.
What is the molecular formula of 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-?
The molecular formula of 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- is C18H22N4O2.
What is the molecular weight of 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-?
The molecular weight of 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- is 326.17 g/mol.
Where can I buy 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-?
You can request a quote for 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- 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-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-(4-(N-(2-pyrimidinyl)methylamino)piperidinomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.