1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
TL;DR: 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1) (CAS 63905-81-7) is a chemical compound with molecular formula C23H30ClNO2 and molecular weight 387.1965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-butylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid, 4-n-butylpiperidyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 4-(N-BUTYLPIPERIDYL) ESTER, HYDROCHLORIDE, (1-butylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride, 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-phenyl-, 1-butyl-4-piperidinyl ester, hydrochloride
Technical Specifications
| Molecular Formula | C23H30ClNO2 |
| Molecular Weight | 387.1965 g/mol |
| XLogP | 0.21 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.1965 Da |
| Heavy Atoms | 27 |
| Complexity | 386.0 |
| SMILES | CCCC[NH+]1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | VQNAFOJXHZEXDE-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
Property Insights of 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylpiperidin-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
What is the CAS number of 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1) is 63905-81-7.
What is the molecular formula of 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1) is C23H30ClNO2.
What is the molecular weight of 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1) is 387.1965 g/mol.
Where can I buy 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.