1-Boc-4-(2-cyanophenyl)piperazine - CAS 179250-25-0
Catalog: |
BB013554 |
Product Name: |
1-Boc-4-(2-cyanophenyl)piperazine |
CAS: |
179250-25-0 |
Synonyms: |
4-(2-cyanophenyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(2-cyanophenyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(2-cyanophenyl)piperazine-1-carboxylate |
Description: | 1-Boc-4-(2-cyanophenyl)piperazine (CAS# 179250-25-0) is a useful research chemical. |
Molecular Weight: | 287.36 |
Molecular Formula: | C16H21N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C#N |
InChI: | InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-7-5-4-6-13(14)12-17/h4-7H,8-11H2,1-3H3 |
InChI Key: | OLDBLJCXZXMUEO-UHFFFAOYSA-N |
LogP: | 2.61828 |
Publication Number | Title | Priority Date |
WO-2017058716-A1 | Tricyclic compounds | 20150928 |
AU-2015240518-A1 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 20140405 |
AU-2019222848-A1 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 20140405 |
EP-3129371-A1 | Inhibitors of cyclin-dependent kinase 7 (cdk7) | 20140405 |
US-10336760-B2 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 20140405 |
Complexity: | 413 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.16337692 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.16337692 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 56.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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