1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride
TL;DR: 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride (CAS 102207-13-6) is a chemical compound with molecular formula C25H34ClNO2 and molecular weight 415.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-phenylbutyl)piperidin-1-yl]propyl benzoate;hydrochloride
Also Known As: 3-(2-(4-Phenylbutyl)piperidino)propyl benzoate hydrochloride, 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride, Benzoic acid, 3-(2-(p-butylphenyl)piperidino)propyl ester hydrochloride, 3-[2-(4-phenylbutyl)piperidin-1-yl]propyl benzoate hydrochloride, 3-[2-(4-Phenylbutyl)piperidin-1-yl]propyl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C25H34ClNO2 |
|---|---|
| Molecular Weight | 415.23 g/mol |
| LogP | 5.9228 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 415.2278 |
| Heavy Atoms | 29 |
| Complexity | 692.48425 |
Chemical Identifiers
| CAS Number | 102207-13-6 |
|---|---|
| SMILES | C1CCN(C(C1)CCCCC2=CC=CC=C2)CCCOC(=O)C3=CC=CC=C3.Cl |
Product Overview
1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride (CAS 102207-13-6), with molecular formula C25H34ClNO2 and molecular weight 415.23 g/mol. IUPAC: 3-[2-(4-phenylbutyl)piperidin-1-yl]propyl benzoate;hydrochloride.
Chemical Property Profile of 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride
Property Insights of 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride
The XLogP value of 5.9228 indicates that 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride?
The CAS number of 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride is 102207-13-6.
What is the molecular formula of 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride?
The molecular formula of 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride is C25H34ClNO2.
What is the molecular weight of 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride?
The molecular weight of 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride is 415.23 g/mol.
Where can I buy 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride?
You can request a quote for 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinepropanol, 2-(4-phenylbutyl)-, benzoate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.