1-Boc-4-(4-methylphenyl)piperazine - CAS 681482-19-9
Catalog: |
BB033482 |
Product Name: |
1-Boc-4-(4-methylphenyl)piperazine |
CAS: |
681482-19-9 |
Synonyms: |
4-(4-methylphenyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate |
Description: | 1-Boc-4-(4-methylphenyl)piperazine (CAS# 681482-19-9) is a useful research chemical. |
Molecular Weight: | 276.37 |
Molecular Formula: | C16H24N2O2 |
Canonical SMILES: | CC1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C16H24N2O2/c1-13-5-7-14(8-6-13)17-9-11-18(12-10-17)15(19)20-16(2,3)4/h5-8H,9-12H2,1-4H3 |
InChI Key: | XWXGRCUZGMGJTK-UHFFFAOYSA-N |
LogP: | 3.05500 |
Publication Number | Title | Priority Date |
WO-2018089261-A2 | Compounds and methods for modulating interleukin-2-inducible t-cell kinase | 20161103 |
EP-3459936-A1 | Novel aryl ethane derivative and pharmaceutical composition containing same as active ingredient | 20160627 |
EP-3480186-A1 | Novel aryl ethane derivative and pharmaceutical composition containing same as active ingredient | 20160627 |
US-2017145013-A1 | Dihydropteridinone derivatives and uses thereof | 20140808 |
US-2017145023-A1 | Diazepane derivatives and uses thereof | 20140808 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.183778013 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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