5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole

C15H19FN2 — CID 84632368

IUPAC5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole
SMILESCc1c(C2CCCCN2)n(C)c2ccc(F)cc12
InChIInChI=1S/C15H19FN2/c1-10-12-9-11(16)6-7-14(12)18(2)15(10)13-5-3-4-8-17-13/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeySTSQUGUBHVTZNW-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.44
Rot. Bonds1

About 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole

5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole (PubChem CID 84632368) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole
PubChem CID84632368
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole
SMILESCc1c(C2CCCCN2)n(C)c2ccc(F)cc12
InChIInChI=1S/C15H19FN2/c1-10-12-9-11(16)6-7-14(12)18(2)15(10)13-5-3-4-8-17-13/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeySTSQUGUBHVTZNW-UHFFFAOYSA-N
XLogP3.44
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-methyl-2-piperidin-2-yl-1H-indole
CID 84627006
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole
CID 84630526
5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
CID 82666551
2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine
CID 81147541
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole?
The IUPAC name of 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole (CID 84632368) is 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole?
The canonical SMILES for 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole is Cc1c(C2CCCCN2)n(C)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole?
The InChIKey is STSQUGUBHVTZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-12-9-11(16)6-7-14(12)18(2)15(10)13-5-3-4-8-17-13/h6-7,9,13,17H,3-5,8H2,1-2H3.
What are the key properties of 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole?
5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole has a molecular weight of 246.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole is sourced from PubChem (CID 84632368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).