1-Boc-4-fluoro-4-(hydroxymethyl)piperidine - CAS 614730-97-1
Catalog: |
BB031126 |
Product Name: |
1-Boc-4-fluoro-4-(hydroxymethyl)piperidine |
CAS: |
614730-97-1 |
Synonyms: |
4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate |
Description: | 1-Boc-4-fluoro-4-(hydroxymethyl)piperidine (CAS# 614730-97-1) is used in preparation of heterocyclic compounds as BCL 2 inhibitors. |
Molecular Weight: | 233.28 |
Molecular Formula: | C11H20FNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)(CO)F |
InChI: | InChI=1S/C11H20FNO3/c1-10(2,3)16-9(15)13-6-4-11(12,8-14)5-7-13/h14H,4-8H2,1-3H3 |
InChI Key: | BWZOULIMVKCGII-UHFFFAOYSA-N |
Boiling Point: | 311.017 °C at 760 mmHg |
Density: | 1.137 g/cm3 |
MDL: | MFCD08062513 |
LogP: | 1.65580 |
Publication Number | Title | Priority Date |
WO-2021207172-A1 | Compounds and methods for targeted degradation of kras | 20200406 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
CN-112661751-A | Heterocyclic compounds as BCL-2 inhibitors | 20191016 |
WO-2021066873-A1 | Condensed heterocycles as bcl-2 inhibitors | 20191003 |
WO-2021023271-A1 | Crystal form of compound as prostacyclin receptor agonist and preparation method therefor | 20190806 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.14272166 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.14272166 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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