5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole

C16H22FN3 — CID 117177164

IUPAC5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
SMILESCC(C)n1c(CN2CCNCC2)cc2cc(F)ccc21
InChIInChI=1S/C16H22FN3/c1-12(2)20-15(11-19-7-5-18-6-8-19)10-13-9-14(17)3-4-16(13)20/h3-4,9-10,12,18H,5-8,11H2,1-2H3
InChIKeyRSYGLNIETUSRCO-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.77
Rot. Bonds3

About 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole

5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole (PubChem CID 117177164) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
PubChem CID117177164
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
SMILESCC(C)n1c(CN2CCNCC2)cc2cc(F)ccc21
InChIInChI=1S/C16H22FN3/c1-12(2)20-15(11-19-7-5-18-6-8-19)10-13-9-14(17)3-4-16(13)20/h3-4,9-10,12,18H,5-8,11H2,1-2H3
InChIKeyRSYGLNIETUSRCO-UHFFFAOYSA-N
XLogP2.77
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole
CID 117176642
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117180623
2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117204577
7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117186562
5-chloro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177143
[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117177017
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
CID 117195257
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The IUPAC name of 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole (CID 117177164) is 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole.
What is the SMILES notation for 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The canonical SMILES for 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole is CC(C)n1c(CN2CCNCC2)cc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The InChIKey is RSYGLNIETUSRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-12(2)20-15(11-19-7-5-18-6-8-19)10-13-9-14(17)3-4-16(13)20/h3-4,9-10,12,18H,5-8,11H2,1-2H3.
What are the key properties of 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole has a molecular weight of 275.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117177164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).