Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate
TL;DR: Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate (CAS 866020-08-8) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-2-(piperidin-1-ylmethyl)benzoate
Also Known As: methyl 3-amino-2-(piperidin-1-ylmethyl)benzoate, methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate, Methyl 3-amino-2-(1-piperidylmethyl)benzoate, methyl 3-amino-2-[(piperidin-1-yl)methyl]benzoate, 3-AMINO-2-PIPERIDIN-1-YLMETHYL-BENZOIC ACID METHYL ESTER
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 2.0413 |
| Topological Polar Surface Area | 55.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 425.80222 |
Chemical Identifiers
| CAS Number | 866020-08-8 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC=C1)N)CN2CCCCC2 |
Product Overview
Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate (CAS 866020-08-8), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: methyl 3-amino-2-(piperidin-1-ylmethyl)benzoate.
Chemical Property Profile of Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate
Property Insights of Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate
The XLogP value of 2.0413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate. With a topological polar surface area (TPSA) of 55.56 Ų, Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate?
The CAS number of Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate is 866020-08-8.
What is the molecular formula of Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate?
The molecular formula of Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate is C14H20N2O2.
What is the molecular weight of Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate?
The molecular weight of Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate is 248.15 g/mol.
Where can I buy Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate?
You can request a quote for Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-2-(piperidinomethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.