6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole

C15H19FN2 — CID 84632394

IUPAC6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
SMILESCn1cc(CC2CCCNC2)c2ccc(F)cc21
InChIInChI=1S/C15H19FN2/c1-18-10-12(7-11-3-2-6-17-9-11)14-5-4-13(16)8-15(14)18/h4-5,8,10-11,17H,2-3,6-7,9H2,1H3
InChIKeyXKLVCVLMEAXPJU-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.86
Rot. Bonds2

About 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole

6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole (PubChem CID 84632394) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
PubChem CID84632394
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
SMILESCn1cc(CC2CCCNC2)c2ccc(F)cc21
InChIInChI=1S/C15H19FN2/c1-18-10-12(7-11-3-2-6-17-9-11)14-5-4-13(16)8-15(14)18/h4-5,8,10-11,17H,2-3,6-7,9H2,1H3
InChIKeyXKLVCVLMEAXPJU-UHFFFAOYSA-N
XLogP2.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(piperidin-3-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692956
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
CID 84630406
6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole
CID 176570034
2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one
CID 84631908
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 176570011
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
CID 82494112
2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 95432808
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole?
The IUPAC name of 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole (CID 84632394) is 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole.
What is the SMILES notation for 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole?
The canonical SMILES for 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole is Cn1cc(CC2CCCNC2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole?
The InChIKey is XKLVCVLMEAXPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-18-10-12(7-11-3-2-6-17-9-11)14-5-4-13(16)8-15(14)18/h4-5,8,10-11,17H,2-3,6-7,9H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole?
6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole has a molecular weight of 246.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole is sourced from PubChem (CID 84632394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).