1-Boc-4-[(2-pyrimidyl)oxy]piperidine - CAS 412293-91-5
Catalog: |
BB024823 |
Product Name: |
1-Boc-4-[(2-pyrimidyl)oxy]piperidine |
CAS: |
412293-91-5 |
Synonyms: |
4-(2-pyrimidinyloxy)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-pyrimidin-2-yloxypiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-pyrimidin-2-yloxypiperidine-1-carboxylate |
Description: | 1-Boc-4-[(2-pyrimidyl)oxy]piperidine (CAS# 412293-91-5) is a useful research chemical. |
Molecular Weight: | 279.33 |
Molecular Formula: | C14H21N3O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=CC=N2 |
InChI: | InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-9-5-11(6-10-17)19-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3 |
InChI Key: | PVRXZBXZDBAHGQ-UHFFFAOYSA-N |
Boiling Point: | 407.376 °C at 760 mmHg |
Density: | 1.161 g/cm3 |
MDL: | MFCD09028557 |
LogP: | 2.19280 |
Publication Number | Title | Priority Date |
EP-1742932-A1 | 3-heterocyclyl-4-phenyl-triazole derivatives as inhibitors of the vasopressin v1a receptor | 20040428 |
JP-2007534740-A | 3-Heterocyclyl-4-phenyl-triazole derivatives as inhibitors of vasopressin V1a receptor | 20040428 |
US-2007225333-A1 | 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor | 20040428 |
WO-2005105779-A1 | 3-heterocyclyl-4-phenyl-triazole derivatives as inhibitors of the vasopressin v1a receptor | 20040428 |
JP-2004002367-A | Pharmaceutical composition | 20020404 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.15829154 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.15829154 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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