1-Boc-3-(methoxymethyl)piperazine - CAS 1270982-05-2
Catalog: |
BB006729 |
Product Name: |
1-Boc-3-(methoxymethyl)piperazine |
CAS: |
1270982-05-2 |
Synonyms: |
3-(methoxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate |
Description: | 1-Boc-3-(methoxymethyl)piperazine (CAS# 1270982-05-2) is a useful research chemical. |
Molecular Weight: | 230.30 |
Molecular Formula: | C11H22N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(C1)COC |
InChI: | InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-12-9(7-13)8-15-4/h9,12H,5-8H2,1-4H3 |
InChI Key: | QBJWNCXOPXVECA-UHFFFAOYSA-N |
LogP: | 1.10840 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105072-A1 | 1,8-naphthyridin-2-one compounds for the treatment of autoimmune disease | 20191126 |
US-10703746-B2 | Mutant IDH1 inhibitors useful for treating cancer | 20141222 |
AU-2013315715-A1 | Glucosylceramide synthase inhibitors | 20120911 |
CA-2884144-A1 | Glucosylceramide synthase inhibitors | 20120911 |
EP-2895484-A1 | Glucosylceramide synthase inhibitors | 20120911 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.16304257 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.16304257 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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