7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole

C16H22FN3 — CID 95433584

IUPAC7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
SMILESCc1[nH]c2c(F)cccc2c1CCCN1CCNCC1
InChIInChI=1S/C16H22FN3/c1-12-13(5-3-9-20-10-7-18-8-11-20)14-4-2-6-15(17)16(14)19-12/h2,4,6,18-19H,3,5,7-11H2,1H3
InChIKeyFGYFPWPTIQEAII-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.45
Rot. Bonds4

About 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole

7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole (PubChem CID 95433584) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole.

Molecular Properties

Compound Name7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
PubChem CID95433584
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
SMILESCc1[nH]c2c(F)cccc2c1CCCN1CCNCC1
InChIInChI=1S/C16H22FN3/c1-12-13(5-3-9-20-10-7-18-8-11-20)14-4-2-6-15(17)16(14)19-12/h2,4,6,18-19H,3,5,7-11H2,1H3
InChIKeyFGYFPWPTIQEAII-UHFFFAOYSA-N
XLogP2.45
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
CID 170864121
1-[3-(2-chloro-6-fluorophenyl)propyl]-1,4-diazepane
CID 95474151
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868396
3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one
CID 84638147
2,6-dimethyl-3-(2-piperazin-1-ylethyl)-1H-indole-7-carboxylic acid
CID 83947397
1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 95426562
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391
7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole
CID 117440749
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole?
The IUPAC name of 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole (CID 95433584) is 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole.
What is the SMILES notation for 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole?
The canonical SMILES for 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole is Cc1[nH]c2c(F)cccc2c1CCCN1CCNCC1.
What is the InChIKey of 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole?
The InChIKey is FGYFPWPTIQEAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-12-13(5-3-9-20-10-7-18-8-11-20)14-4-2-6-15(17)16(14)19-12/h2,4,6,18-19H,3,5,7-11H2,1H3.
What are the key properties of 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole?
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole has a molecular weight of 275.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole is sourced from PubChem (CID 95433584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).