N-(N-Methylpiperidinyl)methylindole - CAS 137641-68-0
Catalog: |
BB059525 |
Product Name: |
N-(N-Methylpiperidinyl)methylindole |
CAS: |
137641-68-0 |
Synonyms: |
1-[(N-Methyl-2-piperidinyl)methyl]-1H-indole |
IUPAC Name: | 1-[(1-methylpiperidin-2-yl)methyl]indole |
Description: | Used in the preparation of CB1 cannabinoid receptor agonists and brain imaging agents. |
Molecular Weight: | 228.33 |
Molecular Formula: | C15H20O2 |
Canonical SMILES: | CN1CCCCC1CN2C=CC3=CC=CC=C32 |
InChI: | InChI=1S/C15H20N2/c1-16-10-5-4-7-14(16)12-17-11-9-13-6-2-3-8-15(13)17/h2-3,6,8-9,11,14H,4-5,7,10,12H2,1H3 |
InChI Key: | XVOUFWJFSTTZOA-UHFFFAOYSA-N |
Melting Point: | 46-50°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Light Brown Solid |
Storage: | Refrigerator |
References: | Deng, H. et al; J. Med. Chem. 48, 6386 (2005). |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.162648646 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.162648646 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 8.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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