1-Benzyl-5-(hydroxymethyl)piperidin-2-one - CAS 744212-68-8
Catalog: |
BB035082 |
Product Name: |
1-Benzyl-5-(hydroxymethyl)piperidin-2-one |
CAS: |
744212-68-8 |
Synonyms: |
5-(hydroxymethyl)-1-(phenylmethyl)-2-piperidinone; 1-benzyl-5-(hydroxymethyl)piperidin-2-one |
IUPAC Name: | 1-benzyl-5-(hydroxymethyl)piperidin-2-one |
Description: | 1-Benzyl-5-(hydroxymethyl)piperidin-2-one (CAS# 744212-68-8) is used as a reactant in the synthesis of (±)-cytisine. |
Molecular Weight: | 219.28 |
Molecular Formula: | C13H17NO2 |
Canonical SMILES: | C1CC(=O)N(CC1CO)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H17NO2/c15-10-12-6-7-13(16)14(9-12)8-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2 |
InChI Key: | LRMCTXDLWPUNPF-UHFFFAOYSA-N |
LogP: | 1.35540 |
Publication Number | Title | Priority Date |
CN-110603252-A | Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
EP-3589628-A1 | Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders | 20170301 |
JP-2020514331-A | Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
KR-20190126831-A | Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
US-2020071301-A1 | Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders | 20170301 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.125928785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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