1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
TL;DR: 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1) (CAS 3685-72-1) is a chemical compound with molecular formula C27H30ClNO2 and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-phenylethyl)piperidin-1-ium-4-yl] 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid N-phenethyl-4-piperidyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 4-(N-PHENETHYLPIPERIDYL) ESTER, HYDROCHLORIDE, (1-phenethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride, 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1), Acetic acid, diphenyl-, 1-phenethyl-4-piperidyl ester, hydrochloride
| Molecular Formula | C27H30ClNO2 |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.1965 |
| Heavy Atoms | 31 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 3685-72-1 |
|---|---|
| SMILES | C1C[NH+](CCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4.[Cl-] |
| InChIKey | XVXVYISMBXFBHS-UHFFFAOYSA-N |
Product Overview
1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1) (CAS 3685-72-1), with molecular formula C27H30ClNO2 and molecular weight 435.20 g/mol. IUPAC: [1-(2-phenylethyl)piperidin-1-ium-4-yl] 2,2-diphenylacetate chloride.
Chemical Property Profile of 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
Property Insights of 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1) has 1 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 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1) is 3685-72-1.
What is the molecular formula of 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1) is C27H30ClNO2.
What is the molecular weight of 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1) is 435.20 g/mol.
Where can I buy 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--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 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Phenylethyl)piperidin-4-yl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.