Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)
TL;DR: Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) (CAS 2048-53-5) is a chemical compound with molecular formula C14H21ClN2O2 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)azanium chloride
Also Known As: 1-Amino-4-phenylisonipecotic acid ethyl ester hydrochloride, (4-ethoxycarbonyl-4-phenylpiperidin-1-yl)azanium chloride, ISONIPECOTIC ACID, 1-AMINO-4-PHENYL-, ETHYL ESTER, MONOHYDROCHLORIDE, Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1), RefChem:1084713
| Molecular Formula | C14H21ClN2O2 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | -2.26 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.12915 |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 2048-53-5 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)[NH3+])C2=CC=CC=C2.[Cl-] |
| InChIKey | BMDYBOIAHVHUEK-UHFFFAOYSA-N |
Product Overview
Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) (CAS 2048-53-5), with molecular formula C14H21ClN2O2 and molecular weight 284.13 g/mol. IUPAC: (4-ethoxycarbonyl-4-phenylpiperidin-1-yl)azanium chloride.
Chemical Property Profile of Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)
Property Insights of Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)
The XLogP value of -2.26 indicates that Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.2 Ų, Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) 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 Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)?
The CAS number of Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) is 2048-53-5.
What is the molecular formula of Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)?
The molecular formula of Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) is C14H21ClN2O2.
What is the molecular weight of Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)?
The molecular weight of Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) is 284.13 g/mol.
Where can I buy Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)?
You can request a quote for Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-amino-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.