1-(1-Boc-4-piperidyl)-2,2,2-trifluoroethylamine - CAS 1159982-64-5
Catalog: |
BB003681 |
Product Name: |
1-(1-Boc-4-piperidyl)-2,2,2-trifluoroethylamine |
CAS: |
1159982-64-5 |
Synonyms: |
4-(1-amino-2,2,2-trifluoroethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(1-amino-2,2,2-trifluoroethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(1-amino-2,2,2-trifluoroethyl)piperidine-1-carboxylate |
Description: | 1-(1-Boc-4-piperidyl)-2,2,2-trifluoroethylamine (CAS# 1159982-64-5) is a useful research chemical. |
Molecular Weight: | 282.30 |
Molecular Formula: | C12H21F3N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)C(C(F)(F)F)N |
InChI: | InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-6-4-8(5-7-17)9(16)12(13,14)15/h8-9H,4-7,16H2,1-3H3 |
InChI Key: | USFSKVYSEAUBSL-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 ℃ |
MDL: | MFCD12026401 |
LogP: | 3.16130 |
Publication Number | Title | Priority Date |
WO-2020035424-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
WO-2020035425-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
AU-2019322161-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
CA-3098272-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
US-2020308190-A1 | Heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.1555124 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.1555124 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Piperidines
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