4-Cyclohexyl-4-(hydroxymethyl)-N-(tert-butoxycarbonyl)piperidine - CAS 312638-87-2
Catalog: |
BB068999 |
Product Name: |
4-Cyclohexyl-4-(hydroxymethyl)-N-(tert-butoxycarbonyl)piperidine |
CAS: |
312638-87-2 |
Synonyms: |
4-Cyclohexyl-4-(hydroxymethyl)-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester; 4-Cyclohexyl-4-hydroxymethylpiperidine-1-carboxylic Acid tert-Butyl Ester |
IUPAC Name: | tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate |
Description: | 4-Cyclohexyl-4-(hydroxymethyl)-N-(tert-butoxycarbonyl)piperidine, is an intermediate in the synthesis of THIQ (C380165), which is a potent, selective melanocortin subtype-4 receptor agonist. |
Molecular Weight: | 297.43 |
Molecular Formula: | C17H31NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)(CO)C2CCCCC2 |
InChI: | InChI=1S/C17H31NO3/c1-16(2,3)21-15(20)18-11-9-17(13-19,10-12-18)14-7-5-4-6-8-14/h14,19H,4-13H2,1-3H3 |
InChI Key: | MCWICGADBUTRHW-UHFFFAOYSA-N |
References: | Sebhat, I.K., et al. J. Med. Chem., 45, 4589 (2002). |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.23039385 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.23039385 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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