5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole

C14H18FN3 — CID 117176642

IUPAC5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole
SMILESCn1c(CN2CCNCC2)cc2cc(F)ccc21
InChIInChI=1S/C14H18FN3/c1-17-13(10-18-6-4-16-5-7-18)9-11-8-12(15)2-3-14(11)17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeyLVAXSGWBIDLDGU-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.72
Rot. Bonds2

About 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole

5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole (PubChem CID 117176642) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole
PubChem CID117176642
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole
SMILESCn1c(CN2CCNCC2)cc2cc(F)ccc21
InChIInChI=1S/C14H18FN3/c1-17-13(10-18-6-4-16-5-7-18)9-11-8-12(15)2-3-14(11)17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeyLVAXSGWBIDLDGU-UHFFFAOYSA-N
XLogP1.72
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117177164
2-(azepan-1-ylmethyl)-1,5-dimethylindole
CID 117185359
3-(1,4-diazepan-1-ylmethyl)-5-fluoro-1,2-dimethylindole
CID 98033914
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
5-fluoro-2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-methylindole
CID 77088430
5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;dihydrochloride
CID 118951045
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864165
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole?
The IUPAC name of 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole (CID 117176642) is 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole is Cn1c(CN2CCNCC2)cc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole?
The InChIKey is LVAXSGWBIDLDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-17-13(10-18-6-4-16-5-7-18)9-11-8-12(15)2-3-14(11)17/h2-3,8-9,16H,4-7,10H2,1H3.
What are the key properties of 5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole?
5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole has a molecular weight of 247.32 g/mol, XLogP of 1.72, 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-2-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 117176642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).