N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine
TL;DR: N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine (CAS 57718-47-5) is a chemical compound with molecular formula C18H23N3 and molecular weight 281.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(1-benzylpiperidin-4-yl)benzene-1,2-diamine
Also Known As: N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine, n1-(1-benzyl-4-piperidyl)benzene-1,2-diamine, Maybridge1_005237, BUTTPARK 95 4-30, BUTTPARK 95\04-30
| Molecular Formula | C18H23N3 |
|---|---|
| Molecular Weight | 281.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1892 |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 57718-47-5 |
|---|---|
| SMILES | C1CN(CCC1NC2=CC=CC=C2N)CC3=CC=CC=C3 |
| InChIKey | MHXACMFKKGZLNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine (CAS 57718-47-5), with molecular formula C18H23N3 and molecular weight 281.19 g/mol. IUPAC: 2-N-(1-benzylpiperidin-4-yl)benzene-1,2-diamine.
Chemical Property Profile of N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine
Property Insights of N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine
The XLogP value of 3.3 indicates that N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine has 2 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 N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine?
The CAS number of N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine is 57718-47-5.
What is the molecular formula of N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine?
The molecular formula of N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine is C18H23N3.
What is the molecular weight of N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine?
The molecular weight of N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine is 281.19 g/mol.
Where can I buy N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine?
You can request a quote for N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(1-benzylpiperidin-4-yl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.