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

C16H22FN3 — CID 95432844

IUPAC7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCn1cc(CCCN2CCNCC2)c2cccc(F)c21
InChIInChI=1S/C16H22FN3/c1-19-12-13(14-5-2-6-15(17)16(14)19)4-3-9-20-10-7-18-8-11-20/h2,5-6,12,18H,3-4,7-11H2,1H3
InChIKeySVSUMWHEIUQCJO-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.16
Rot. Bonds4

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

7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 95432844) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
PubChem CID95432844
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCn1cc(CCCN2CCNCC2)c2cccc(F)c21
InChIInChI=1S/C16H22FN3/c1-19-12-13(14-5-2-6-15(17)16(14)19)4-3-9-20-10-7-18-8-11-20/h2,5-6,12,18H,3-4,7-11H2,1H3
InChIKeySVSUMWHEIUQCJO-UHFFFAOYSA-N
XLogP2.16
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 82502267
1-methyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83947755
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
1-ethyl-3-(3-piperazin-1-ylpropyl)indole-7-carboxylic acid
CID 83947745
7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864404
3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole
CID 117445345
7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83947882
(7-fluoro-1-methylindol-3-yl)methanethiol
CID 117182099
1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
CID 170868364
N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine
CID 82494098
1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868396
1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83946944

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole (CID 95432844) is 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole is Cn1cc(CCCN2CCNCC2)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is SVSUMWHEIUQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-19-12-13(14-5-2-6-15(17)16(14)19)4-3-9-20-10-7-18-8-11-20/h2,5-6,12,18H,3-4,7-11H2,1H3.
What are the key properties of 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole?
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 275.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 95432844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).