5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole

C15H20FN3 — CID 82279021

IUPAC5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole
SMILESCC(c1cn(C)c2ccc(F)cc12)N1CCNCC1
InChIInChI=1S/C15H20FN3/c1-11(19-7-5-17-6-8-19)14-10-18(2)15-4-3-12(16)9-13(14)15/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyZVXJFNXHNLTKPK-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.28
Rot. Bonds2

About 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole

5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole (PubChem CID 82279021) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole
PubChem CID82279021
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole
SMILESCC(c1cn(C)c2ccc(F)cc12)N1CCNCC1
InChIInChI=1S/C15H20FN3/c1-11(19-7-5-17-6-8-19)14-10-18(2)15-4-3-12(16)9-13(14)15/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyZVXJFNXHNLTKPK-UHFFFAOYSA-N
XLogP2.28
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 117121009
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117109406
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole
CID 82024005
1-[(1S)-1-(4-fluoro-2-nitrophenyl)ethyl]piperazine
CID 171278173
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
6-fluoro-1-methyl-3-propan-2-ylindole
CID 58525499
cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine
CID 82278982

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole?
The IUPAC name of 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole (CID 82279021) is 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole.
What is the SMILES notation for 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole?
The canonical SMILES for 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole is CC(c1cn(C)c2ccc(F)cc12)N1CCNCC1.
What is the InChIKey of 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole?
The InChIKey is ZVXJFNXHNLTKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(19-7-5-17-6-8-19)14-10-18(2)15-4-3-12(16)9-13(14)15/h3-4,9-11,17H,5-8H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole?
5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole has a molecular weight of 261.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole is sourced from PubChem (CID 82279021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).