2-(Piperidin-4-yl)-1H-indole - CAS 200714-50-7
Catalog: |
BB072905 |
Product Name: |
2-(Piperidin-4-yl)-1H-indole |
CAS: |
200714-50-7 |
Synonyms: |
2-(piperidin-4-yl)-1H-indole; 1H-Indole, 2-(4-piperidinyl)-; 2-piperidin-4-yl-1h-indole; 2-(piperidin-4-yl)benzazole |
IUPAC Name: | 2-piperidin-4-yl-1H-indole |
Description: | 2-(Piperidin-4-yl)-1H-indole is a useful research chemical used in the synthesis of novel 5-HT7 receptor antagonist SB-656104-A. |
Molecular Weight: | 200.27 |
Molecular Formula: | C13H16N2 |
Canonical SMILES: | C1CNCCC1C2=CC3=CC=CC=C3N2 |
InChI: | InChI=1S/C13H16N2/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2 |
InChI Key: | QUSRJRFKZHTCIL-UHFFFAOYSA-N |
References: | Forbes, I. T., et al. Bioorg. Med. Chem. Lett. 12, 22, 3341-44, (2002). |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.131348519 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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