3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
TL;DR: 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 78219-41-7) is a chemical compound with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-benzylpiperidin-1-yl)propyl benzoate;hydrochloride
Also Known As: 3- propylbenzoatehydrochloride, gamma-(2-Benzylpiperidino)propyl benzoate hydrochloride, 1-Piperidinepropanol, 2-benzyl-, benzoate, hydrochloride, 3-(2-benzyl-1-piperidyl)propylbenzoate hydrochloride, Benzoic acid, 3-(2-benzylpiperidino)propyl ester hydrochloride
| Molecular Formula | C22H28ClNO2 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | 4.7525 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.18085 |
| Heavy Atoms | 26 |
| Complexity | 647.70654 |
Chemical Identifiers
| CAS Number | 78219-41-7 |
|---|---|
| SMILES | C1CCN(C(C1)CC2=CC=CC=C2)CCCOC(=O)C3=CC=CC=C3.Cl |
Product Overview
3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 78219-41-7), with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol. IUPAC: 3-(2-benzylpiperidin-1-yl)propyl benzoate;hydrochloride.
Chemical Property Profile of 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
Property Insights of 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
The XLogP value of 4.7525 indicates that 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) has 0 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 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The CAS number of 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 78219-41-7.
What is the molecular formula of 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is C22H28ClNO2.
What is the molecular weight of 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 373.18 g/mol.
Where can I buy 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(2-Benzylpiperidin-1-yl)propyl benzoate--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 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.