6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole

C17H24FN3 — CID 117180623

IUPAC6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
SMILESCC(C)n1c(CN2CCN(C)CC2)cc2ccc(F)cc21
InChIInChI=1S/C17H24FN3/c1-13(2)21-16(12-20-8-6-19(3)7-9-20)10-14-4-5-15(18)11-17(14)21/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyYZPJGQIDVBZKEN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.11
Rot. Bonds3

About 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole

6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole (PubChem CID 117180623) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
PubChem CID117180623
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
SMILESCC(C)n1c(CN2CCN(C)CC2)cc2ccc(F)cc21
InChIInChI=1S/C17H24FN3/c1-13(2)21-16(12-20-8-6-19(3)7-9-20)10-14-4-5-15(18)11-17(14)21/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyYZPJGQIDVBZKEN-UHFFFAOYSA-N
XLogP3.11
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186009
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
CID 117180622
5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117177164
7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186565
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
2-(6-fluoro-1-propan-2-ylindol-2-yl)propan-1-ol
CID 117122777
4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]benzenethiol
CID 91656917
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
6-fluoro-1-propan-2-ylindole-2-carbaldehyde
CID 117122831
5-chloro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177143

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The IUPAC name of 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole (CID 117180623) is 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The canonical SMILES for 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole is CC(C)n1c(CN2CCN(C)CC2)cc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
The InChIKey is YZPJGQIDVBZKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-13(2)21-16(12-20-8-6-19(3)7-9-20)10-14-4-5-15(18)11-17(14)21/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole?
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole has a molecular weight of 289.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 117180623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).