4-[(Boc-amino)methyl]piperidine-4-methanol - CAS 493026-47-4
Catalog: |
BB026687 |
Product Name: |
4-[(Boc-amino)methyl]piperidine-4-methanol |
CAS: |
493026-47-4 |
Synonyms: |
N-[[4-(hydroxymethyl)-4-piperidinyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate |
IUPAC Name: | tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate |
Description: | 4-[(Boc-amino)methyl]piperidine-4-methanol (CAS# 493026-47-4) is a useful research chemical. |
Molecular Weight: | 244.33 |
Molecular Formula: | C12H24N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1(CCNCC1)CO |
InChI: | InChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-8-12(9-15)4-6-13-7-5-12/h13,15H,4-9H2,1-3H3,(H,14,16) |
InChI Key: | BHDQLRXFZUGFMK-UHFFFAOYSA-N |
MDL: | MFCD22397604 |
LogP: | 1.59290 |
Publication Number | Title | Priority Date |
WO-2020081848-A1 | Protein tyrosine phosphatase inhibitors | 20181017 |
EP-3867238-A1 | Protein tyrosine phosphatase inhibitors | 20181017 |
KR-20210076098-A | protein tyrosine phosphatase inhibitor | 20181017 |
EP-3630770-A1 | Pyrazolo[3,4-b]pyrazine derivatives as shp2 phosphatase inhibitors | 20170526 |
US-2020172546-A1 | Pyrazolo[3,4-b]pyrazine derivatives as shp2 phosphatase inhibitors | 20170526 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.17869263 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.17869263 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 70.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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