Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate
TL;DR: Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate (CAS 158144-85-5) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate
Also Known As: TERT-BUTYL 4-(HYDROXYMETHYL)-4-PHENYLPIPERIDINE-1-CARBOXYLATE, J1.323.818I, Tert-butyl 4-(hydroxymethyl)-4-phenyl-piperidine-1-carboxylate, 1-t-butoxycarbonyl-4-phenyl-4-hydroxymethyl piperidine, 1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-phenyl-, 1,1-dimethylethyl ester
| Molecular Formula | C17H25NO3 |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 2.9476 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.18344 |
| Heavy Atoms | 21 |
| Complexity | 470.55862 |
Chemical Identifiers
| CAS Number | 158144-85-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)(CO)C2=CC=CC=C2 |
Product Overview
Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate (CAS 158144-85-5), with molecular formula C17H25NO3 and molecular weight 291.18 g/mol. IUPAC: tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate
Property Insights of Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate
The XLogP value of 2.9476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate. With a topological polar surface area (TPSA) of 49.77 Ų, Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate 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 Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate?
The CAS number of Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate is 158144-85-5.
What is the molecular formula of Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate?
The molecular formula of Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate is C17H25NO3.
What is the molecular weight of Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate?
The molecular weight of Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate is 291.18 g/mol.
Where can I buy Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate?
You can request a quote for Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.