4-Phenyl-2-piperidone - CAS 81976-73-0
Catalog: |
BB036736 |
Product Name: |
4-Phenyl-2-piperidone |
CAS: |
81976-73-0 |
Synonyms: |
4-phenyl-2-piperidinone; 4-phenylpiperidin-2-one |
IUPAC Name: | 4-phenylpiperidin-2-one |
Description: | 4-Phenyl-2-piperidone (CAS# 81976-73-0) is a useful research chemical. |
Molecular Weight: | 175.23 |
Molecular Formula: | C11H13NO |
Canonical SMILES: | C1CNC(=O)CC1C2=CC=CC=C2 |
InChI: | InChI=1S/C11H13NO/c13-11-8-10(6-7-12-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13) |
InChI Key: | YZUKXJQGAVJSTK-UHFFFAOYSA-N |
LogP: | 1.95610 |
Publication Number | Title | Priority Date |
WO-2018054549-A1 | 6-membered cyclic amines or lactames substituted with urea and phenyl | 20160921 |
CA-2961186-A1 | Tricyclic derivative | 20140918 |
JP-2017527606-A | Tricyclic derivatives | 20140918 |
US-2017273985-A1 | Tricyclic derivative | 20140918 |
WO-2016042775-A1 | Tricyclic derivative | 20140918 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.099714038 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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