rac-1-[2-(Cyano)phenyl]-3-piperidinol - CAS 1246816-21-6
Catalog: |
BB069131 |
Product Name: |
rac-1-[2-(Cyano)phenyl]-3-piperidinol |
CAS: |
1246816-21-6 |
Synonyms: |
1-[2-(Cyano)phenyl]-3-hydroxy-piperidine; 3-Piperidinol-2-benzonitrile; 2-(3-Hydroxy-1-piperidinyl)benzonitrile |
IUPAC Name: | 2-(3-hydroxypiperidin-1-yl)benzonitrile |
Description: | Intermediate in the preparation of Repaglinide metabolites. |
Molecular Weight: | 202.25 |
Molecular Formula: | C12H14N2O |
Canonical SMILES: | C1CC(CN(C1)C2=CC=CC=C2C#N)O |
InChI: | InChI=1S/C12H14N2O/c13-8-10-4-1-2-6-12(10)14-7-3-5-11(15)9-14/h1-2,4,6,11,15H,3,5,7,9H2 |
InChI Key: | QNWBQCKIJVDXIA-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Clear Thick Brown to Very Dark Brown Oil |
Storage: | -20°C Freezer |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.110613074 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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