5-Phenyl-2-piperidone - CAS 3973-63-5
Catalog: |
BB024114 |
Product Name: |
5-Phenyl-2-piperidone |
CAS: |
3973-63-5 |
Synonyms: |
5-phenyl-2-piperidinone; 5-phenylpiperidin-2-one |
IUPAC Name: | 5-phenylpiperidin-2-one |
Description: | 5-Phenyl-2-piperidone (CAS# 3973-63-5) is a useful research chemical. |
Molecular Weight: | 175.23 |
Molecular Formula: | C11H13NO |
Canonical SMILES: | C1CC(=O)NCC1C2=CC=CC=C2 |
InChI: | InChI=1S/C11H13NO/c13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13) |
InChI Key: | KNYJDLYSXYMKTA-UHFFFAOYSA-N |
MDL: | MFCD02179047 |
LogP: | 2.00900 |
Publication Number | Title | Priority Date |
JP-2013253225-A | Antistatic agent and antistatic resin composition | 20120510 |
EP-2846798-B1 | Aliphatic spirolactam cgrp receptor antagonists | 20120509 |
EP-2846799-B1 | Spirolactam cgrp receptor antagonists | 20120509 |
US-2015087641-A1 | Heterocyclic cgrp receptor antagonists | 20120509 |
US-2015111914-A1 | Spirolactam cgrp receptor antagonists | 20120509 |
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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