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

C15H19FN2 — CID 117178351

IUPAC6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
SMILESCn1cc(CN2CCCCC2)c2ccc(F)cc21
InChIInChI=1S/C15H19FN2/c1-17-10-12(11-18-7-3-2-4-8-18)14-6-5-13(16)9-15(14)17/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyHQXLOCHKEVIEKS-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.30
Rot. Bonds2

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

6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole (PubChem CID 117178351) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
PubChem CID117178351
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
SMILESCn1cc(CN2CCCCC2)c2ccc(F)cc21
InChIInChI=1S/C15H19FN2/c1-17-10-12(11-18-7-3-2-4-8-18)14-6-5-13(16)9-15(14)17/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyHQXLOCHKEVIEKS-UHFFFAOYSA-N
XLogP3.30
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole
CID 117178853
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole
CID 50916158
4-[3-(6-fluoro-1-methylindol-3-yl)propyl]morpholine
CID 170871004
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
5-fluoro-1-octyl-3-(pyrrolidin-1-ylmethyl)indole
CID 50916342
[2-(azepan-1-ylmethyl)-5-fluorophenyl]boronic acid
CID 54970471
2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one
CID 84631908
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
CID 117196130
6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole?
The IUPAC name of 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole (CID 117178351) is 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole.
What is the SMILES notation for 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole?
The canonical SMILES for 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole is Cn1cc(CN2CCCCC2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole?
The InChIKey is HQXLOCHKEVIEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-17-10-12(11-18-7-3-2-4-8-18)14-6-5-13(16)9-15(14)17/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole?
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole has a molecular weight of 246.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole is sourced from PubChem (CID 117178351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).