(S)-1-Boc-3-isopropylpiperazine - CAS 475272-54-9
Catalog: |
BB026333 |
Product Name: |
(S)-1-Boc-3-isopropylpiperazine |
CAS: |
475272-54-9 |
Synonyms: |
(3S)-3-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-propan-2-ylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl (3S)-3-propan-2-ylpiperazine-1-carboxylate |
Description: | (S)-1-Boc-3-isopropylpiperazine (CAS# 475272-54-9) is used in the preparation of heteroaromatic derivatives as PDE4 inhibitors. |
Molecular Weight: | 228.33 |
Molecular Formula: | C12H24N2O2 |
Canonical SMILES: | CC(C)C1CN(CCN1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m1/s1 |
InChI Key: | UHLAQCKNCBYTIF-SNVBAGLBSA-N |
Boiling Point: | 298.4 °C at 760 mmHg |
Density: | 0.98 g/cm3 |
LogP: | 2.11800 |
Publication Number | Title | Priority Date |
US-10669272-B2 | Substituted naphthyridinone compounds useful as T cell activators | 20180627 |
US-2020109140-A1 | Substituted naphthyridinone compounds useful as t cell activators | 20180627 |
WO-2020006018-A1 | Substituted naphthyridinone compounds useful as t cell activators | 20180627 |
AU-2019291794-A1 | Substituted naphthyridinone compounds useful as T cell activators | 20180627 |
CA-3104654-A1 | Substituted naphthyridinone compounds useful as t cell activators | 20180627 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.183778013 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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