tert-Butyl 3-(3-Amino-4-chlorophenyl)-5-methylpiperidine-1-carboxylate - CAS 2181780-03-8
Catalog: |
BB017160 |
Product Name: |
tert-Butyl 3-(3-Amino-4-chlorophenyl)-5-methylpiperidine-1-carboxylate |
CAS: |
2181780-03-8 |
Synonyms: |
3-(3-amino-4-chlorophenyl)-5-methyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-(3-amino-4-chlorophenyl)-5-methylpiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(3-amino-4-chlorophenyl)-5-methylpiperidine-1-carboxylate |
Description: | tert-Butyl 3-(3-Amino-4-chlorophenyl)-5-methylpiperidine-1-carboxylate (CAS# 2181780-03-8 ) is a useful research chemical. |
Molecular Weight: | 324.85 |
Molecular Formula: | C17H25ClN2O2 |
Canonical SMILES: | CC1CC(CN(C1)C(=O)OC(C)(C)C)C2=CC(=C(C=C2)Cl)N |
InChI: | InChI=1S/C17H25ClN2O2/c1-11-7-13(12-5-6-14(18)15(19)8-12)10-20(9-11)16(21)22-17(2,3)4/h5-6,8,11,13H,7,9-10,19H2,1-4H3 |
InChI Key: | IVARZESEJKRXJQ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2017311047-A1 | TLR7/8 antagonists and uses thereof | 20160808 |
CA-3033240-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
EP-3497094-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
JP-2019527718-A | TLR7 / 8 antagonists and their use | 20160808 |
US-2018037570-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.1604557 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.1604557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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