3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide
TL;DR: 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide (CAS 473241-97-3) is a chemical compound with molecular formula C15H22N2OS and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide
Also Known As: UPCMLD0ENAT0513-0071:001, 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide, 3-(hydroxymethyl)-N-phenethylpiperidine-1-carbothioamide, AJ-292/42035032, 3-(hydroxymethyl)-N-(2-phenylethyl)-1-piperidinecarbothioamide
| Molecular Formula | C15H22N2OS |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 1.8079 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1453 |
| Heavy Atoms | 19 |
| Complexity | 396.39188 |
Chemical Identifiers
| CAS Number | 473241-97-3 |
|---|---|
| SMILES | C1CC(CN(C1)C(=S)NCCC2=CC=CC=C2)CO |
Product Overview
3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide (CAS 473241-97-3), with molecular formula C15H22N2OS and molecular weight 278.15 g/mol. IUPAC: 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide.
Chemical Property Profile of 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide
Property Insights of 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide
The XLogP value of 1.8079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide. With a topological polar surface area (TPSA) of 35.5 Ų, 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide has 2 hydrogen bond donor(s) and 2 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-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide?
The CAS number of 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide is 473241-97-3.
What is the molecular formula of 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide?
The molecular formula of 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide is C15H22N2OS.
What is the molecular weight of 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide?
The molecular weight of 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide is 278.15 g/mol.
Where can I buy 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide?
You can request a quote for 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.