1-Boc-2-Benzylpiperazine - CAS 481038-63-5
Catalog: |
BB026491 |
Product Name: |
1-Boc-2-Benzylpiperazine |
CAS: |
481038-63-5 |
Synonyms: |
2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-benzylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 2-benzylpiperazine-1-carboxylate |
Description: | 1-Boc-2-Benzylpiperazine (CAS# 481038-63-5) is one of the reactants for preparation of 1-(4-aryl-3-aminobutanoyl)piperazines as dipeptidyl peptidase inhibitors for the treatment of diabetes mellitus. |
Molecular Weight: | 276.37 |
Molecular Formula: | C16H24N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC1CC2=CC=CC=C2 |
InChI: | InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3 |
InChI Key: | QKUHUJCLUFLGCI-UHFFFAOYSA-N |
Boiling Point: | 382.9 °C at 760 mmHg |
Density: | 1.066 g/cm3 |
Appearance: | Liquid |
LogP: | 2.70470 |
Publication Number | Title | Priority Date |
US-2020247785-A1 | IL-17 Ligands And Uses Thereof | 20190206 |
US-10583137-B2 | Triazole DAGLα inhibitors | 20151202 |
US-2018344729-A1 | TRIAZOLE DAGLAlpha INHIBITORS | 20151202 |
WO-2017096315-A1 | TRIAZOLE DAGL(α) INHIBITORS | 20151202 |
TW-201712001-A | 1,3,4-oxadiazole sulfonamide derivative as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same | 20150727 |
Complexity: | 319 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.183778013 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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