tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate - CAS 1638744-26-9
Catalog: |
BB012045 |
Product Name: |
tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate |
CAS: |
1638744-26-9 |
Synonyms: |
(2S,5R)-2,5-dimethyl-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate |
Description: | tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate (CAS# 1638744-26-9 ) is a useful research chemical. |
Molecular Weight: | 304.434 |
Molecular Formula: | C18H28N2O2 |
Canonical SMILES: | CC1CN(C(CN1C(=O)OC(C)(C)C)C)CC2=CC=CC=C2 |
InChI: | InChI=1S/C18H28N2O2/c1-14-12-20(17(21)22-18(3,4)5)15(2)11-19(14)13-16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3/t14-,15+/m1/s1 |
InChI Key: | XKSYUMRCBPYFNT-CABCVRRESA-N |
Publication Number | Title | Priority Date |
AU-2010243044-A1 | Carbinol compound having heterocyclic linker | 20090429 |
AU-2010243044-B2 | Carbinol compound having heterocyclic linker | 20090429 |
AU-2010243044-B8 | Carbinol compound having heterocyclic linker | 20090429 |
AU-2010243044-C1 | Carbinol compound having heterocyclic linker | 20090429 |
EP-2426113-A1 | Carbinol compound having heterocyclic linker | 20090429 |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.21507814 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.21507814 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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