1-Boc-5-methyl-3-piperidinone - CAS 1509382-47-1
Catalog: |
BB010591 |
Product Name: |
1-Boc-5-methyl-3-piperidinone |
CAS: |
1509382-47-1 |
Synonyms: |
3-methyl-5-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate |
Description: | 1-Boc-5-methyl-3-piperidinone (CAS# 1509382-47-1 ) is a useful research chemical. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC1CC(=O)CN(C1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C11H19NO3/c1-8-5-9(13)7-12(6-8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3 |
InChI Key: | PIXOEWQIZRMJQU-UHFFFAOYSA-N |
LogP: | 1.77030 |
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 |
CN-111978321-A | Preparation method of 4-Boc-2,5,6, 7-tetrahydropyrazolo [4,3-b ] pyridine and derivatives thereof | 20200922 |
WO-2020099882-A1 | Heterocyclic spiro-compounds as am2 receptor inhibitors | 20181115 |
US-2018037570-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
US-10947214-B2 | TLR7/8 antagonists and uses thereof | 20160808 |
US-2021002255-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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