3-(Boc-amino)-4,4-difluoropiperidine - CAS 1052713-53-7
Catalog: |
BB001596 |
Product Name: |
3-(Boc-amino)-4,4-difluoropiperidine |
CAS: |
1052713-53-7 |
Synonyms: |
N-(4,4-difluoro-3-piperidinyl)carbamic acid tert-butyl ester; tert-butyl N-(4,4-difluoropiperidin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(4,4-difluoropiperidin-3-yl)carbamate |
Description: | 3-(Boc-amino)-4,4-difluoropiperidine (CAS# 1052713-53-7) is a useful research chemical. |
Molecular Weight: | 236.26 |
Molecular Formula: | C10H18F2N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CNCCC1(F)F |
InChI: | InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-7-6-13-5-4-10(7,11)12/h7,13H,4-6H2,1-3H3,(H,14,15) |
InChI Key: | PQJOHBZTOIMHCM-UHFFFAOYSA-N |
LogP: | 2.04150 |
Publication Number | Title | Priority Date |
WO-2021102361-A1 | Caspase 6 inhibitors and uses thereof | 20191122 |
WO-2019215268-A1 | Cyclopentane compounds | 20180511 |
AU-2019266525-A1 | Cyclopentane compounds | 20180511 |
CN-112424182-A | Cyclopentane compounds | 20180511 |
EP-3790870-A1 | Cyclopentane compounds | 20180511 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.13363415 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.13363415 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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